SMILES for Cyclin-A2/Cyclin-dependent kinase 1

103 SMILES Strings for Cyclin-A2/Cyclin-dependent kinase 1

Compound Name

SMILES String

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r,THB:9:8:35.34.33.11:5,1:2:35.34.33.11:5|

BDBM2579

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM17140

O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r|

BDBM50110183

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1

BDBM448922

Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1cc(F)c2nc3CCCCCn3c2c1

BDBM50455050

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1

BDBM448924

CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM50455057

CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1

BDBM50455051

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc5CCC(C)(C)n5c4c3)nc2)CC1

BDBM448930

CC1(C)CCc2nc3ccc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM448932

CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F

BDBM448933

CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCC(N)CC2)ncc1F

BDBM448935

Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CC1CCNCC1

BDBM448936

Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1N1CCNCC1

BDBM448940

CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1

BDBM50455048

CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CCF)CC3)cn2)ncc1F

BDBM50455064

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1

BDBM448944

C[C@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r|

BDBM448945

C[C@@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r|

BDBM448946

CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(N3CCN(C)CC3)c(C)n2)ncc1F

BDBM448947

CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CCO)CC2)ncc1F

BDBM448948

CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1

BDBM448951

C[C@H]1CN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CCN1 |r|

BDBM448952

C[C@H]1CN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CCN1C |r|

BDBM448958

CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNC(C)C2)ncc1F

BDBM448960

CC1(C)Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM448962

CC1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1

BDBM448964

CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM50455066

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1

BDBM50455061

CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1

BDBM448977

CC1CCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

BDBM448979

CC1CN(CC(C)N1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1

BDBM498185

COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)n(C)n1 |r|

BDBM498187

Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)on1 |r|

BDBM50202432

NC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1

BDBM50202312

NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1

BDBM50202321

CC(C)Oc1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12

BDBM50202289

CS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1

BDBM50202433

CC(C)c1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12

BDBM50202329

NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncccc4c23)cc1

BDBM50202434

NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)-c2cnco2)cc1

BDBM50202378

NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncsc4c23)cc1

BDBM50263013

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|

BDBM50059889

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50433369

c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-]

BDBM50464603

CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F |c:5|

BDBM50464604

CC(C)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:27|

BDBM50464611

CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C3(C)CC)c(F)c2)nc1 |t:26|

BDBM50464613

CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:26|

BDBM50464614

CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C11CCCC1 |t:1|

BDBM50464615

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24|

BDBM50464616

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C4(CC)CC)c(F)c3)nc2)CC1 |t:24|

BDBM50464626

CCC1(C)C(C)=Nc2ccc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |c:5|

BDBM50464629

CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:26|

BDBM50464633

CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCNCC3)ncc2F)C11CCCC1 |t:1|

BDBM50464607

CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C(C)(CC)c3c2)nc1 |t:26|

BDBM50464605

CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C(C)(CC)c3c2)nc1 |t:26|

BDBM50464617

CCC1(C)C(C)=Nc2ccc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:5|

BDBM50464618

CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:25|

BDBM50464612

CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:25|

BDBM50464636

CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:26|

BDBM50464608

CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C3(C)CC)c(F)c2)nc1 |t:26|

BDBM50464619

CCC1(CC)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:6|

BDBM50464621

CC1=Nc2ccc(cc2C11CCCC1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |t:1|

BDBM50464622

CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |c:5|

BDBM50464632

CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1|

BDBM50464623

CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1|

BDBM50464609

CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25|

BDBM50464606

CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25|

BDBM50464639

CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C1(C)C |t:1|

BDBM50464638

CCC1(C)C(C)=Nc2ccc(cc12)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F |c:5|

BDBM50464620

CC1=Nc2ccc(cc2C11CCCC1)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F |t:1|

BDBM50464610

CCC1(C)C(C)=Nc2ccc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |c:5|

BDBM50464628

CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |c:5|

BDBM50464630

CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:5|

BDBM50464631

CCC1(CC)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |c:6|

BDBM50464634

CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:26|

BDBM50464624

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4N=C(C)C5(CCCC5)c4c3)nc2)CC1 |t:24|

BDBM50464625

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C4(C)CC)c(F)c3)nc2)CC1 |t:24|

BDBM50521924

C[C@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|

BDBM50521925

C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCCF)C3)C2)ncc1F |r|

BDBM50521929

COCCN1CCC(CC1)Nc1nccc(n1)-c1cnn2CCCCc12

BDBM50521930

CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3CCCCc23)nc1

BDBM50521941

CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCc23)nc1

BDBM50521931

C[C@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|

BDBM50521928

CC(C)c1c(cnn1C)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F

BDBM50521939

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cnn4CCCC[C@@H](C)c34)nc2)CC1 |r|

BDBM50521927

C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |r|

BDBM50521940

C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F |r|

BDBM50521936

C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C3)C3COC3)C2)ncc1F |r|

BDBM50521938

CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 |r|

BDBM50330290

CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1

BDBM50521937

C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCF)C3)C2)ncc1F |r|

BDBM50521932

CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCCc23)nc1

BDBM50521923

COCCN1CCC(CC1)Nc1nccc(n1)-c1cn[nH]c1C(C)C

BDBM50521926

C[C@@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|

BDBM50521934

C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F |r|

BDBM50521935

C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C)C3)C2)ncc1F |r|

BDBM50521933

C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|

BDBM50551189

Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1

BDBM50551190

Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1

BDBM50113342

c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F

BDBM50583189

CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F