SMILES for Tyrosine-protein kinase JAK2 [826-1132]

241 SMILES Strings for Tyrosine-protein kinase JAK2 [826-1132]

Compound Name

SMILES String

OC1CCN(CC1)c1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:16.17,wD:13.13,(-8.75,4.47,;-7.25,4.15,;-6.77,2.69,;-5.26,2.37,;-4.23,3.51,;-4.71,4.98,;-6.21,5.3,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458849

NC1CCN(CC1)c1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:16.17,wD:13.13,(-8.75,4.47,;-7.25,4.15,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-5.26,2.37,;-6.77,2.69,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458850

Fc1c(N[C@H]2CC[C@H](CC#N)CC2)nc(nc1N1CCNCC1)-c1cnn2ccccc12 |r,wU:7.7,wD:4.3,(-2.17,5.8,;-1.7,4.34,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;.29,2.55,;-.74,1.41,;-2.25,1.73,;-2.73,3.19,;-4.23,3.51,;-5.26,2.37,;-6.77,2.69,;-7.25,4.15,;-6.21,5.3,;-4.71,4.98,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458851

CN(C)C1CCN(CC1)c1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:18.19,wD:15.15,(-9.78,3.33,;-8.75,4.47,;-9.23,5.94,;-7.25,4.15,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-5.26,2.37,;-6.77,2.69,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458852

OCCOc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:13.13,wD:10.9,(-6.69,6.76,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458853

OC[C@H](O)COc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |wU:15.15,wD:2.2,12.11,(-9.31,1.86,;-7.8,1.54,;-6.77,2.69,;-7.25,4.15,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458854

OC[C@@H](O)COc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |wU:2.2,15.15,wD:12.11,(-9.31,1.86,;-7.8,1.54,;-6.77,2.69,;-7.25,4.15,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458855

OCCNc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:13.13,wD:10.9,(-6.69,6.76,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458856

CN(C)CCOc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:15.15,wD:12.11,(-9.31,1.86,;-7.8,1.54,;-7.32,.08,;-6.77,2.69,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458857

CN(C)CCOc1nc(nc(N[C@@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:12.11,15.15,(-9.31,1.86,;-7.8,1.54,;-7.32,.08,;-6.77,2.69,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|

BDBM458858

C[C@H](Nc1nc(nc(N2CCC(N)CC2)c1F)-c1cnn2ccccc12)c1ccc(F)cn1

BDBM458859

C[C@H](Nc1nc(nc(OCCO)c1F)-c1cnn2ccccc12)c1ncc(F)cn1

BDBM458860

C[C@H](Nc1nc(nc(OC[C@@H](O)CO)c1F)-c1cnn2ccccc12)c1ncc(F)cn1

BDBM458861

OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458862

CCCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458863

CCOCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458864

OCc1ccc(cc1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458865

Nc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458866

COc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458867

Cc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458868

CN([C@@H]1CCCN(C1)C(=O)CC#N)c1nc(nc(-c2ccnc(C)c2)c1F)-c1cnn2ccccc12

BDBM458869

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(N2CCC(O)CC2)c1F)-c1cnn2ccccc12

BDBM458870

OCC1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458871

OCCNc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458872

CN1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458873

Cc1c(N[C@@H]2CCCN(C2)C(=O)CO)nc(nc1N1CCOCC1)-c1cnn2ccccc12

BDBM458875

COCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1C)-c1cnn2ccccc12

BDBM458876

CCOC(=O)C1(C)CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458877

Cc1ccn2ncc(-c3nc(N[C@@H]4CCCN(C4)C(=O)CO)c(F)c(n3)N3CCOCC3)c2c1

BDBM458878

CCOC(=O)C1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458879

OC(=O)C1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458880

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(-c2cn[nH]c2)c1F)-c1cnn2ccccc12

BDBM458881

CC(C)(O)Cn1cc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458882

Cc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458883

COc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458884

Cc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458885

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12

BDBM458886

CCOC(=O)c1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458887

COCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458888

OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458889

OCCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458890

COc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458891

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(O)c1F)-c1cnn2ccccc12

BDBM458892

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(OC(Cc2ccccc2)C([O-])=O)c1F)-c1cnn2ccccc12

BDBM458893

CCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458895

CCOC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458896

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(C#N)c1F)-c1cnn2ccccc12

BDBM458897

NC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458898

OCC(=O)N1CCC[C@H](C1)Nc1cc(OCC(F)(F)F)nc(n1)-c1cnn2ccccc12

BDBM458901

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(OCC(F)F)c1F)-c1cnn2ccccc12

BDBM458902

CC(C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458905

OCC(=O)N1CCC[C@H](C1)Oc1nc(nc(N2CCOCC2)c1F)-c1cnn2ccccc12

BDBM458906

Fc1c(O[C@@H]2CCCN(C2)C(=O)CC#N)nc(nc1N1CCOCC1)-c1cnn2ccccc12

BDBM458908

OCCOc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12

BDBM458909

COc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(CO)cn2)c1F)-c1cnn2ccccc12

BDBM458910

COc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12

BDBM458911

OCCOc1nc(nc(N[C@@H]2CCCN(C2)c2ncc(cn2)C#N)c1F)-c1cnn2ccccc12

BDBM458912

COC[C@H](C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458913

C[C@@H](CO)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458914

COC[C@@H](C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458915

C[C@H](CO)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458916

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1cccnc1)-c1cnn2ccccc12

BDBM458917

COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458918

COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458919

OCCOc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458920

OCCOc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458921

CN1CCN(CC1)c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458922

CN1CCN(CC1)c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458923

OCCNc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458924

OCCNc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458925

Cc1cc(ccn1)-c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458926

Cc1cc(ccn1)-c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458927

OCc1cc(ccn1)-c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458929

OCC(=O)N1CCC[C@H](C1)Oc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12

BDBM458930

OCC(=O)N1CCC[C@H](C1)Oc1nc(nc(N2CCC(O)CC2)c1F)-c1cnn2ccccc12

BDBM458931

OC1CCN(CC1)c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458932

CN([C@@H]1CCCN(C1)C(=O)CO)c1nc(nc(-c2ccnc(C)c2)c1F)-c1cnn2ccccc12

BDBM458933

OCc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458934

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccc(nc1)C(O)=O)-c1cnn2ccccc12

BDBM458935

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccncc1)-c1cnn2ccccc12

BDBM458936

CN(C)c1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458937

Cc1ncc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458938

CCOCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458939

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccc(CO)nc1)-c1cnn2ccccc12

BDBM458940

OCc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458942

Cc1cc(cc(C)n1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458943

Cc1cc(cc(C)n1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458944

OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1cncc(CO)c1)-c1cnn2ccccc12

BDBM458945

OCc1cncc(c1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

BDBM458946

C[C@H](O)COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458947

COC[C@@H](C)Oc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12

BDBM458948

CC(C)OC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

BDBM458949

COc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1C)-c1cnn2ccccc12

BDBM458950

COc1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12

BDBM458951

COc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12

BDBM458952

COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12

BDBM458953

COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12

BDBM458954

COc1cc(ccn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12

BDBM458955

Cc1ccc(cn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12

BDBM458956

Cc1ccc(cn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12

BDBM458957

Cc1cc(cc(C)n1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12

BDBM458958

Cc1cc(cc(C)n1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12

BDBM458959

OCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12

BDBM458960

OCCOc1cc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)nc(n1)-c1cnn2ccccc12

BDBM458961

OCC(=O)N1CCC[C@H](C1)Nc1cc(nc(n1)-c1cnn2ccccc12)-c1cncc(O)c1

BDBM458962

Oc1cncc(c1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12

BDBM771614

COc1nn(C)cc1-c1[nH]c2ncc3c(c2c1-c1ccc2c(cnn2C)c1)n(C1CCOCC1)c(=O)n3C

BDBM771615

[2H]C([2H])([2H])n1ncc2cc(-c3c(-c4cn(C)nc4OC)[nH]c4ncc5c(c34)n(C3CCOCC3)c(=O)n5C)ccc21

BDBM771616

Cn1cc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C)c2)n([C@H]2CC[C@@H](CC#N)CC2)c(=O)n4C)cn1

BDBM771617

COc1ccc(-c2c(-c3cnn(Cc4ccncc4)c3)[nH]c3ncc4c(c23)n(C2CCCC2)c(=O)n4C)cc1

BDBM771618

COc1nn(C)cc1c3[nH]c2ncc7c(c2c3c5ccc4c(cnn4C)c5)n([C@H]6CC[C@@H](CC#N)CC6)c(=O)n7C

BDBM771619

CN(C)C(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C)c2)n(C2CCCC2)c(=O)n4C)cc1

BDBM771620

CCn1c(=O)n(C2CCCC2)c2c3cc(-c4ccc(CN5CCC(S(C)(=O)=O)CC5)cc4)[nH]c3ncc21

BDBM771621

Cn1c(=O)n(C2CCCC2)c2c3c(-c4ccccc4)c(-c4ccc(CN5CCC(S(C)(=O)=O)CC5)cc4)[nH]c3ncc21

BDBM771622

Cn1ncc2cc(-c3c(-c4ccc(CN5CCC(S(C)(=O)=O)CC5)cc4)[nH]c4ncc5c(c34)n(C3CCCC3)c(=O)n5C)ccc21

BDBM771623

CNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2cccc(F)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

BDBM771624

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NC(C)C)c(F)c5)c(-c5cccc(F)c5)c4c32)C1

BDBM771625

CNC(=O)c1c(F)cc(-c2[nH]c3ncc4c(c3c2-c2cccc(F)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

BDBM771626

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5cc(F)c(C(=O)NC6CC6)c(F)c5)c(-c5cccc(F)c5)c4c32)C1

BDBM771627

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N6C7CCC6COC7)c(OC)c5)c(-c5cccc(F)c5)c4c32)C1

BDBM771628

CCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

BDBM771629

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NCCCNc6ccccc6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771630

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NC6CC6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771631

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NC6CC6(F)F)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771632

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NC6CC6C(F)(F)F)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771633

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NCC(F)(F)F)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771634

CNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

BDBM771635

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)NC6(C(F)(F)F)CC6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771636

COCCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

BDBM771637

COCCN(C)C(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1F

BDBM771638

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N6CCOCC6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771639

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N6CC(OC)C6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771640

CCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1OC

BDBM771641

COCCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1

BDBM771642

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N6CCOCC6)cc5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771643

CNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1

BDBM771644

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N(C)C)cc5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771645

CCNC(=O)c1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(cnn3C(C)C)c2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C)cc1

BDBM771646

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(C(=O)N6CCC(F)(F)CC6)c(F)c5)c(-c5ccc6c(cnn6C(C)C)c5)c4c32)C1

BDBM771647

[2H]C([2H])([2H])N(Cc7ccc(c2[nH]c1ncc6c(c1c2c4ccc3OC(C)(C)Cc3c4)n([C@@H]5CC[C@@H](NC(=O)OC)C5)c(=O)n6C([2H])([2H])[2H])cc7)C([2H])([2H])[2H]

BDBM771648

[2H]C([2H])([2H])n1c(=O)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c2c3c(-c4ccc5c(cnn5C(C)C)c4)c(-c4ccc(CN(C)C)cc4)[nH]c3ncc21

BDBM771649

[2H]C([2H])([2H])N(Cc1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc(OCCOC)cc2)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C([2H])([2H])[2H])cc1)C([2H])([2H])[2H]

BDBM771650

COC(=O)N[C@@H]1CC[C@@H](n2c(=O)n(C)c3cnc4[nH]c(-c5ccc(CN(C)C)cc5)c(-c5ccc(F)cc5)c4c32)C1

BDBM771651

[2H]C([2H])([2H])N(Cc1ccc(-c2[nH]c3ncc4c(c3c2-c2ccc3c(c2)COC3(C)C)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c(=O)n4C([2H])([2H])[2H])cc1)C([2H])([2H])[2H]

BDBM771652

[2H]C([2H])([2H])n1c(=O)n([C@@H]2CC[C@@H](NC(=O)OC)C2)c2c3c(-c4ccc5c(c4)COC5(C)C)c(-c4ccc(C(=O)N(C)C)cc4)[nH]c3ncc21

BDBM604253

CN1C(=O)NCc2c1cnc1[nH]c(cc21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604254

CN1C(=O)N(Cc2c1cnc1[nH]c(cc21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccccc1

BDBM604258

CN1C(=O)N(Cc2c1cnc1[nH]c(cc21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604262

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c4CN(Cc5cccnc5)C(=O)Nc4cnc3[nH]2)CC1

BDBM604269

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c4CN(C5CCCCC5)C(=O)Nc4cnc3[nH]2)CC1

BDBM604274

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c4CN(C5CCC(CC5)C(O)=O)C(=O)Nc4cnc3[nH]2)CC1 |(11.83,12.4,;11.88,10.86,;10.34,10.81,;13.41,10.91,;11.92,9.32,;13.28,8.6,;13.33,7.06,;12.02,6.24,;12.07,4.71,;10.76,3.89,;10.81,2.35,;9.5,1.54,;8.14,2.27,;8.09,3.81,;9.4,4.62,;6.83,1.46,;5.41,2.04,;4.41,.87,;2.87,.82,;2.06,2.13,;.52,2.08,;-.29,3.39,;-1.83,3.34,;-2.64,4.65,;-1.91,6.01,;-.37,6.05,;.44,4.75,;-2.72,7.31,;-1.99,8.67,;-4.26,7.27,;-.21,.72,;-1.74,.67,;.61,-.59,;2.14,-.54,;2.96,-1.85,;4.5,-1.8,;5.22,-.44,;6.72,-.08,;10.66,6.97,;10.61,8.51,)|

BDBM604287

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c4CN(C5CCN(CC5)S(N)(=O)=O)C(=O)Nc4cnc3[nH]2)CC1

BDBM604290

COCCNc1ccc(cc1)N1Cc2c(cnc3[nH]c(cc23)-c2ccc(CN3CCC(CC3)S(C)(=O)=O)cc2)N(C)C1=O

BDBM604297

CN1C(=O)N(Cc2c1cnc1[nH]c(cc21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(NC(=O)CC#N)cc1

BDBM604304

CC1N(C(=O)N(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604307

COc1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)c1ccc(cc1)C(=O)Nc1cccnc1)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604308

CCC(=O)c1ccc(cc1)N1Cc2c(NC1=O)cnc1[nH]c(c(-c3ccc(OC)cc3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604309

COc1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)c1ccc(cc1)C(=O)NCC(=O)NNCc1ccccc1)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604310

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccc(cc3)C(=O)NCC3(CC3)C#N)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)C(C)(C)C

BDBM604311

COC(=O)c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)c1ccc(cc1)C(O)=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604312

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccc(CNC(C)=O)cc3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)C(C)(C)C

BDBM604313

CNS(=O)(=O)c1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)C(C)(C)C)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604314

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccc(cc3)N3CCN(CC3)C(C)=O)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)C(C)(C)C

BDBM604315

CC(C(N)=O)n1cc(cn1)-c1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)C(C)(C)C)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604316

CN1C(=O)N(Cc2c1cnc1[nH]c(c(C3=CCN(CC3)C(C)=O)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O |t:15|

BDBM604317

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccc(cc3)C3(N)CC3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604318

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccn(C)c3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604319

CN1C(=O)N(Cc2c1cnc1[nH]c(c(C3CC3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604320

CN1C(=O)N(Cc2c1cnc1[nH]c(c(C#N)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604321

CN1C(=O)N(Cc2c1cnc1[nH]c(c(I)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604322

COc1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)c1ccc(cc1)C(O)=O)C1CC1

BDBM608209

COc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cn[nH]c1

BDBM608210

COc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cnc(s1)C1CCOCC1

BDBM608211

COc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cnn(c1)C1CCCC1

BDBM608212

COc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1N1CCN(CC1)S(=O)(=O)C1CC1

BDBM608213

COc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cnn(c1)C1CCOCC1

BDBM608214

O=C(Nc1cc(Nc2cccc(c2)-c2cnn(c2)C2CCOCC2)c2c(cc[nH]c2=O)n1)C1CC1

BDBM608215

COc1cc(ccc1Nc1cc(NC(=O)C2CC2)nc2cc[nH]c(=O)c12)-c1cnn(c1)C1CCOCC1

BDBM608216

COc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cnn(c1)C(C)C(N)=O

BDBM608217

CCn1ccc2cccc(Nc3cc(NC(=O)C4CC4)nc4cc[nH]c(=O)c34)c12

BDBM608218

COc1c(Nc2cc(NC(=O)C3CC3)nc3ccn(C)c(=O)c23)cccc1-c1cnc(s1)C1CCOCC1

BDBM608219

COc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1C(=O)NCC1CCOCC1

BDBM608220

CSc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cnn(c1)C1CCOCC1

BDBM608221

CS(=O)(=O)c1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cnn(c1)C1CCOCC1

BDBM608222

COc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1C(F)(F)F

BDBM608223

COc1cccc(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)c1OC

BDBM608224

Clc1cccc(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)c1-c1cn[nH]c1

BDBM608225

Cc1[nH]ncc1-c1c(Cl)cccc1Nc1cc(NC(=O)C2CC2)nc2cc[nH]c(=O)c12 |(-3.16,1.46,;-2.84,2.96,;-3.87,4.11,;-3.1,5.44,;-1.6,5.12,;-1.44,3.59,;-.1,2.82,;1.23,3.59,;1.23,5.13,;2.56,2.82,;2.56,1.28,;1.23,.51,;-.1,1.28,;-1.44,.51,;-1.44,-1.03,;-.1,-1.8,;-.1,-3.34,;1.23,-4.11,;2.56,-3.34,;2.56,-1.8,;3.9,-4.11,;4.67,-5.44,;5.44,-4.11,;-1.44,-4.11,;-2.77,-3.34,;-4.1,-4.11,;-5.44,-3.34,;-5.44,-1.8,;-4.1,-1.03,;-4.1,.51,;-2.77,-1.8,)|

BDBM608226

FC(F)(F)c1cccc(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)c1-c1cn[nH]c1

BDBM608227

Cc1[nH]ncc1-c1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1C(F)(F)F |(-3.16,.84,;-2.84,2.35,;-3.87,3.49,;-3.1,4.83,;-1.6,4.51,;-1.44,2.98,;-.1,2.21,;-.1,.67,;-1.44,-.1,;-1.44,-1.64,;-.1,-2.41,;-.1,-3.95,;1.23,-4.72,;2.56,-3.95,;2.56,-2.41,;3.9,-4.72,;4.67,-6.06,;5.44,-4.72,;-1.44,-4.72,;-2.77,-3.95,;-4.1,-4.72,;-5.44,-3.95,;-5.44,-2.41,;-4.1,-1.64,;-4.1,-.1,;-2.77,-2.41,;1.23,-.1,;2.56,.67,;2.56,2.21,;1.23,2.98,;1.23,4.52,;-.1,5.29,;2.56,5.29,;1.23,6.06,)|

BDBM608228

FC(F)Oc1ccccc1Nc1cc(NC(=O)C2CC2)nc2cc[nH]c(=O)c12

BDBM608229

COc1ccccc1Nc1cc(NC(=O)C2CC2)nc2cc[nH]c(=O)c12

BDBM608230

CNc1ccccc1Nc1cc(NC(=O)C2CC2)nc2cc[nH]c(=O)c12

BDBM608231

OCc1ccccc1Nc1cc(NC(=O)C2CC2)nc2cc[nH]c(=O)c12

BDBM608232

O=C(Nc1cc(Nc2ccccc2OC2CC2)c2c(cc[nH]c2=O)n1)C1CC1

BDBM620451

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c(ncc4[nH]c(=O)c(cc34)-c3ccccc3)[nH]2)CC1

BDBM620452

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c(ncc4[nH]c(=O)c(cc34)-c3ccc(cc3)C(O)=O)[nH]2)CC1

BDBM620453

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c(ncc4[nH]c(=O)c(cc34)C#N)[nH]2)CC1

BDBM620454

Cn1nccc1-c1cc2c3cc([nH]c3ncc2[nH]c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620455

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c(ncc4[nH]c(=O)c(cc34)-c3nnn[nH]3)[nH]2)CC1

BDBM620456

Cc1c(-c2ccc(cc2)C(O)=O)c(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620457

Cc1c(-c2ccc(cc2)-n2cnnn2)c(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620458

Cc1c(-c2ccc(cc2)C(O)=O)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620459

Cc1ccc(cc1)-c1c(C)c2c3cc([nH]c3ncc2n(C)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620460

Cc1c(-c2ccc(Cl)cc2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620461

Cc1c(-c2cccc(Cl)c2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620462

COc1ccc(cc1)-c1c(C)c2c3cc([nH]c3ncc2n(C)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620463

Cc1c(-c2ccc(cc2)C#N)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620464

Cn1c2cnc3[nH]c(cc3c2cc(-c2ccc(cc2)C(O)=O)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620465

CCn1c2cnc3[nH]c(cc3c2cc(-c2ccc(cc2)C(O)=O)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620466

CCc1c(-c2ccc(cc2)C(O)=O)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620467

Cc1cc(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620468

Cc1c(-c2ccc(cc2)[N+]([O-])=O)c(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620469

Cc1c(-c2ccc3OCCOc3c2)c(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620470

COc1c(-c2ccccc2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620471

Cc1cc(on1)-c1c(C2CCOCC2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620472

COC1CCC(CC1)c1c(-c2cc(C)no2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1cnn(C)c1 |(4.24,1.66,;2.91,2.43,;1.57,1.66,;1.57,.12,;.24,-.65,;-1.1,.12,;-1.1,1.66,;.24,2.43,;-2.43,-.65,;-3.76,.12,;-3.76,1.66,;-5.01,2.56,;-4.53,4.03,;-5.44,5.27,;-2.99,4.03,;-2.52,2.56,;-5.1,-.65,;-6.43,.12,;-5.1,-2.19,;-6.43,-2.96,;-3.76,-2.96,;-3.76,-4.5,;-2.43,-5.27,;-1.1,-4.5,;.37,-4.98,;1.27,-3.73,;.37,-2.49,;-1.1,-2.96,;-2.43,-2.19,;2.81,-3.73,;3.72,-4.98,;5.18,-4.5,;5.18,-2.96,;6.43,-2.06,;3.72,-2.49,)|

BDBM620473

Cc1cc(on1)-c1c(-c2ccccc2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620474

COC1CCC(CC1)c1cc(=O)n(C)c2cnc3[nH]c(cc3c12)-c1cnn(C)c1 |(4.2,3.08,;2.86,3.85,;1.53,3.08,;1.53,1.54,;.19,.77,;-1.14,1.54,;-1.14,3.08,;.19,3.85,;-2.47,.77,;-3.81,1.54,;-5.14,.77,;-6.47,1.54,;-5.14,-.77,;-6.47,-1.54,;-3.81,-1.54,;-3.81,-3.08,;-2.47,-3.85,;-1.14,-3.08,;.33,-3.56,;1.23,-2.31,;.33,-1.06,;-1.14,-1.54,;-2.47,-.77,;2.77,-2.31,;3.68,-3.56,;5.14,-3.08,;5.14,-1.54,;6.47,-.77,;3.68,-1.06,)|

BDBM620475

Cc1cc(on1)-c1c(-c2ccc(cc2)C(=O)NCCO)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620476

Cc1cc(on1)-c1c(-c2ccc(cc2)C(=O)Nc2ccc3oc(C)nc3c2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620477

COCc1ccc(cc1)-c1c(-c2cc(C)no2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1cnn(C)c1

BDBM620478

Cc1cc(on1)-c1c(-c2ccc(CNC3CCCOC3)cc2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620479

COCCN(C)c1ccc(cc1)-c1c(-c2cc(C)no2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1cnn(C)c1

BDBM620480

Cc1cc(on1)-c1c(-c2ccc(NC3CCOCC3)cc2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620481

Cc1cc(on1)-c1c(-c2ccc(cc2)-c2cnn(C)c2C)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620482

Cc1cc(on1)-c1c(-c2ccc(cc2)-c2cnn(C)c2CO)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620483

Cc1cc(on1)-c1c(C2CCN(C2)S(C)(=O)=O)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620484

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(Nc4cccc(c4)-c4nnn[nH]4)cc3c12)-c1cnn(C)c1

BDBM620485

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(Nc4ccc(Cc5nnn[nH]5)cc4)cc3c12)-c1cnn(C)c1

BDBM620486

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(cc3c12)-c1cnccc1C)-c1cnn(C)c1

BDBM620487

CC(=O)N1CC[C@@H](C1)c1cc2c3c(c([nH]c3ncc2n(C)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)-c1ccccc1 |r|

BDBM620488

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(NC4CCC(CC#N)CC4)cc3c12)-c1cnn(C)c1 |(4.87,.56,;3.78,1.65,;4.55,2.98,;2.27,1.33,;1.18,2.42,;1.8,-.14,;.29,-.46,;-.19,-1.92,;.85,-3.06,;2.35,-2.74,;2.83,-1.28,;.37,-4.53,;1.27,-5.78,;.37,-7.02,;-1.1,-6.55,;-2.43,-7.31,;-3.76,-6.55,;-3.76,-5.01,;-5.1,-4.24,;-6.43,-5.01,;-5.1,-2.7,;-6.43,-1.93,;-3.76,-1.93,;-3.76,-.39,;-3.76,1.15,;-2.43,1.92,;-2.43,3.46,;-3.76,4.23,;-3.76,5.77,;-2.43,6.54,;-1.1,7.31,;-5.1,3.46,;-5.1,1.92,;-2.43,-2.7,;-2.43,-4.24,;-1.1,-5.01,;2.81,-5.78,;3.72,-7.02,;5.18,-6.55,;5.18,-5.01,;6.43,-4.1,;3.72,-4.53,)|

BDBM620489

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(cc3c12)N1CCC(CC1)S(C)(=O)=O)-c1cnn(C)c1

BDBM620490

COCCS(=O)(=O)C1CCN(CC1)c1cc2c3c(c([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1)-c1ccc(cc1)C(=O)N(C)C

BDBM620491

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(cc3c12)N1CCC2(CCOC2)CC1)-c1cnn(C)c1

BDBM620492

COc1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(cc3c12)C(=O)N(C)C)-c1cnn(C)c1

BDBM620493

CN(C)C(=O)c1cc2c3c(c([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1)-c1ccc2n(C)ncc2c1

BDBM620494

CN(C)C(=O)c1cc2c3c(c([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1)-c1ccc(cc1)C1(CC1)C#N

BDBM729573

[2H]C([2H])([2H])N1C(=O)C2(CCC(NC(=O)NCC)CC2)c2cc(Nc3ccc4cccc(C(F)(F)F)c4n3)ncc21

BDBM729574

[2H]C([2H])([2H])N1C(=O)C2(CCC(NC(=O)NCC)CC2)c2cc(Nc3ccc4cccc(C(F)(F)F)c4n3)ncc21