106 SMILES Strings for Tyrosine-protein kinase JAK3 [795-1124]

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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
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,)|
C[C@H](Nc1nc(nc(N2CCC(N)CC2)c1F)-c1cnn2ccccc12)c1ccc(F)cn1
C[C@H](Nc1nc(nc(OCCO)c1F)-c1cnn2ccccc12)c1ncc(F)cn1
C[C@H](Nc1nc(nc(OC[C@@H](O)CO)c1F)-c1cnn2ccccc12)c1ncc(F)cn1
OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CCCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CCOCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCc1ccc(cc1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
Nc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
COc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
Cc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CN([C@@H]1CCCN(C1)C(=O)CC#N)c1nc(nc(-c2ccnc(C)c2)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(N2CCC(O)CC2)c1F)-c1cnn2ccccc12
OCC1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCNc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
CN1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1c(N[C@@H]2CCCN(C2)C(=O)CO)nc(nc1N1CCOCC1)-c1cnn2ccccc12
COCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1C)-c1cnn2ccccc12
CCOC(=O)C1(C)CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1ccn2ncc(-c3nc(N[C@@H]4CCCN(C4)C(=O)CO)c(F)c(n3)N3CCOCC3)c2c1
CCOC(=O)C1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OC(=O)C1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(-c2cn[nH]c2)c1F)-c1cnn2ccccc12
CC(C)(O)Cn1cc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12
CCOC(=O)c1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(O)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(OC(Cc2ccccc2)C([O-])=O)c1F)-c1cnn2ccccc12
CCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
CCOC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(C#N)c1F)-c1cnn2ccccc12
NC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1cc(OCC(F)(F)F)nc(n1)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(OCC(F)F)c1F)-c1cnn2ccccc12
CC(C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Oc1nc(nc(N2CCOCC2)c1F)-c1cnn2ccccc12
Fc1c(O[C@@H]2CCCN(C2)C(=O)CC#N)nc(nc1N1CCOCC1)-c1cnn2ccccc12
OCCOc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12
COc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(CO)cn2)c1F)-c1cnn2ccccc12
COc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12
OCCOc1nc(nc(N[C@@H]2CCCN(C2)c2ncc(cn2)C#N)c1F)-c1cnn2ccccc12
COC[C@H](C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
C[C@@H](CO)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COC[C@@H](C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
C[C@H](CO)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1cccnc1)-c1cnn2ccccc12
COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCCOc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCOc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CN1CCN(CC1)c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
CN1CCN(CC1)c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCCNc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCNc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
Cc1cc(ccn1)-c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1cc(ccn1)-c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCc1cc(ccn1)-c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Oc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Oc1nc(nc(N2CCC(O)CC2)c1F)-c1cnn2ccccc12
OC1CCN(CC1)c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CN([C@@H]1CCCN(C1)C(=O)CO)c1nc(nc(-c2ccnc(C)c2)c1F)-c1cnn2ccccc12
OCc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccc(nc1)C(O)=O)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccncc1)-c1cnn2ccccc12
CN(C)c1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1ncc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
CCOCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccc(CO)nc1)-c1cnn2ccccc12
OCc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
Cc1cc(cc(C)n1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1cc(cc(C)n1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1cncc(CO)c1)-c1cnn2ccccc12
OCc1cncc(c1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
C[C@H](O)COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COC[C@@H](C)Oc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12
CC(C)OC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1C)-c1cnn2ccccc12
COc1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
COc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
COc1cc(ccn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
Cc1ccc(cn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
Cc1ccc(cn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
Cc1cc(cc(C)n1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
Cc1cc(cc(C)n1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
OCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
OCCOc1cc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)nc(n1)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1cc(nc(n1)-c1cnn2ccccc12)-c1cncc(O)c1
Oc1cncc(c1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12