SMILES for Epidermal growth factor receptor [T790M]

213 SMILES Strings for Epidermal growth factor receptor [T790M]

Compound Name

SMILES String

CCN(CC)C\C=C\C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1O[C@H]1CCOC1 |r|

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1O[C@H]1CCOC1 |r|

Nc1c(c(nn1-c1c(Cl)cc(Cl)cc1Cl)-c1ccncc1)-c1ccc(F)cc1 |(-1,-2.52,;-1.47,-1.05,;-2.94,-.58,;-2.94,.96,;-1.47,1.44,;-.56,.19,;.98,.19,;1.74,1.52,;.97,2.85,;3.28,1.52,;4.06,.18,;5.6,.18,;3.29,-1.15,;1.75,-1.15,;.97,-2.48,;-4.18,1.87,;-4.2,3.41,;-5.54,4.16,;-6.87,3.37,;-6.84,1.82,;-5.5,1.08,;-4.18,-1.48,;-5.52,-.72,;-6.85,-1.5,;-6.84,-3.04,;-8.17,-3.82,;-5.49,-3.8,;-4.17,-3.02,)|

BDBM5447

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM195081

COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(N)cc4)c3n2)cc1

BDBM195857

COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1

BDBM195858

C=CC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O

BDBM195859

COc1ccc(Nc2ncc3nc(C)c(=O)n(-c4ccc(NC(=O)C=C)cc4)c3n2)cc1

BDBM195860

COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1

BDBM195861

COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

BDBM195862

CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O

BDBM195863

CCC(=O)Nc1ccc(cc1)-n1c2nc(Nc3ccc(OC)cc3)ncc2ncc1=O

BDBM195864

COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NC(=O)\C=C\CN(C)C)cc4)c3n2)cc1

BDBM195865

COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)\C=C\CN(C)C)c4)c3n2)cc1

BDBM228107

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1

BDBM228108

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@@H]2OCCO[C@H]2C1 |r|

BDBM228109

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228110

Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|

BDBM228111

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228112

Fc1ccc(Nc2ncnc3cc(OCC(F)(F)F)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|

BDBM228113

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228114

Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)\C=C\CN5C[C@H]6OCCO[C@H]6C5)cc34)cc2Cl)c1 |r|

BDBM228115

Clc1cc(Nc2ncnc3ccc(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|

BDBM228116

COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228117

CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228118

Clc1cc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|

BDBM228119

Fc1cccc(Cn2ncc3cc(Nc4ncnc5ccc(NC(=O)\C=C\CN6C[C@H]7OCCO[C@H]7C6)cc45)ccc23)c1 |r|

BDBM228120

COc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228121

CCOc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228122

COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228123

CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228124

COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228125

CCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228126

COCCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM228127

Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(NC(=O)\C=C\CN3C[C@H]4OCCO[C@H]4C3)cc12 |r|

BDBM228128

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|

BDBM50391089

C#Cc1cccc(c1)Nc2c3cc4c(cc3ncn2)OCCOCCOCCO4

BDBM149404

CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F

BDBM270538

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(N)=O)n1)N1CCC(CC1)N(C)C

BDBM270539

COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCN(C)CC1

BDBM270540

COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1

BDBM270541

CN(C)C(=O)C(=O)c1ccccc1Nc1cc(Cl)ccc1Cl

BDBM270542

CN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3OCCN(C(=O)C=C)c3c2)ncc1Cl

BDBM270543

CN(C)CCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)cc1NC(=O)C=C

BDBM270544

COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCC(CC1)N(C)C

BDBM50171967

COc1ccc(Nc2ncnc3cc(OC(C)C)c4OCCOc4c23)cc1[N+]([O-])=O

BDBM50171966

CC(C)Oc1cc2ncnc(Nc3ccc(F)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171965

CC(C)Oc1cc2ncnc(Nc3ccc(C)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171964

CC(C)Oc1cc2ncnc(Nc3ccc(Cl)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171963

CC(C)Oc1cc2ncnc(Nc3ccc(F)c(c3)C#N)c2c2OCCOc12

BDBM50171962

CC(C)Oc1cc2ncnc(Nc3ccc(C)c(c3)C#N)c2c2OCCOc12

BDBM50171961

CC(C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2OCCOc12

BDBM50171960

CC(C)Oc1cc2ncnc(Nc3cccc(c3)C#C)c2c2OCCOc12

BDBM50171914

COCCOc1cc2ncnc(Nc3ccc(OC)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171915

COCCOc1cc2ncnc(Nc3ccc(F)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171916

COCCOc1cc2ncnc(Nc3ccc(C)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171917

COCCOc1cc2ncnc(Nc3ccc(Cl)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171970

COCCOc1cc2ncnc(Nc3ccc(F)c(c3)C#N)c2c2OCCOc12

BDBM293345

COCCOc1cc2ncnc(Nc3ccc(C)c(c3)C#N)c2c2OCCOc12

BDBM50171959

CCOC(C)Oc1cc2ncnc(Nc3ccc(OC)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171958

CCOC(C)Oc1cc2ncnc(Nc3ccc(F)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM293348

CCOC(C)Oc1cc2ncnc(Nc3ccc(Cl)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171957

CCOC(C)Oc1cc2ncnc(Nc3ccc(C)c(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171956

CCOC(C)Oc1cc2ncnc(Nc3ccc(F)c(c3)C#N)c2c2OCCOc12

BDBM50171955

CCOC(C)Oc1cc2ncnc(Nc3ccc(C)c(c3)C#N)c2c2OCCOc12

BDBM50172056

C#Cc1cccc(Nc2ncnc3cc(OC4CCOCC4)c4OCCOc4c23)c1

BDBM293353

Fc1cc(Nc2ncnc3cc(OC4CCOCC4)c4OCCOc4c23)ccc1Cl

BDBM293354

Fc1cc(Nc2ncnc3cc(OC4CCOC4)c4OCCOc4c23)ccc1Cl

BDBM50171918

C#Cc1cccc(Nc2ncnc3cc(OC4CCOC4)c4OCCOc4c23)c1

BDBM50171954

COCC(C)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2OCCOc12

BDBM50171950

COCC(C)Oc1cc2ncnc(Nc3cccc(c3)C#C)c2c2OCCOc12

BDBM293358

CC(C)Oc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c2OCCOc12

BDBM50172007

COc1cc2ncnc(Nc3cccc(c3)C#C)c2c2OCCOc12

BDBM50172008

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2OCCOc12

BDBM50171910

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2OCCOc12

BDBM50171911

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2c2OCCOc12

BDBM50171912

COCCOc1cc2ncnc(Nc3ccc(F)cc3)c2c2OCCOc12

BDBM50171913

COCCOc1cc2ncnc(Nc3cccc(OC)c3)c2c2OCCOc12

BDBM50171877

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2OCCOc12

BDBM50171878

CCOc1cc2ncnc(Nc3cccc(c3)C#C)c2c2OCCOc12

BDBM50171879

CCOc1cc2ncnc(Nc3cccc(OC)c3)c2c2OCCOc12

BDBM50171880

CCOc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2c2OCCOc12

BDBM50171908

CCOc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2c2OCCOc12

BDBM50171909

CCOc1cc2ncnc(Nc3ccc(C)cc3)c2c2OCCOc12

BDBM50171969

Fc1ccc(Nc2ncnc3cc(OCC4CCCO4)c4OCCOc4c23)cc1Cl

BDBM50171968

C#Cc1cccc(Nc2ncnc3cc(OCC4CCCO4)c4OCCOc4c23)c1

BDBM50154255

O=C1COc2cc3ncnc(Nc4cccc(c4)C#C)c3cc2N1CCCN1CCOCC1

BDBM50154284

Fc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl

BDBM50154277

Cc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1Cl

BDBM50154286

COc1cccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)c1

BDBM50154278

COc1ccc(Nc2ncnc3cc4OCC(=O)N(CCCN5CCOCC5)c4cc23)cc1OC

BDBM368365

CCc1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc1-c1cnn2ccccc12

BDBM368366

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(n1)-c1c(C2=CCOCC2)n(C)c2ccccc12 |t:31|

BDBM368367

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(n1)-c1c(-c2ccccc2)n(C)c2ccccc12

BDBM368368

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncnc(n1)-c1c(C2CCOCC2)n(C)c2ccccc12

BDBM368369

COOc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c(-c2ccc(OCc3ccccn3)c(Cl)c2)n(C)c2ccccc12

BDBM368370

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c(-c2cncc(Cl)c2)n(C)c2ccccc12

BDBM368371

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c(-c2ccccc2)n(C)c2ccccc12

BDBM368372

COC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc1-c1cn(C)c2ccccc12

BDBM368373

CCOC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc1-c1cn(C)c2ccccc12

BDBM368374

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12

BDBM368375

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC2COC2)c(n1)-c1cn(C)c2ccccc12

BDBM368376

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC2CN(C)C2)c(n1)-c1cn(C)c2ccccc12

BDBM368377

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OCC2CC2)c(n1)-c1cn(C)c2ccccc12

BDBM368379

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC2CCC2)c(n1)-c1cn(C)c2ccccc12

BDBM368380

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-n1ccc2ccccc12

BDBM368381

COC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CC2CCCN2C)nc1-c1cn(C)c2ccccc12

BDBM368382

COc1cc(N(C)CC2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12

BDBM368383

COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cn(C)c2cc(OCCN3CCN(C)CC3)ccc12

BDBM368384

COc1ccc(NC(=O)C=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2cc(OCCCN(C)C)ccc12

BDBM368385

COc1ccc(NC(=O)C=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2cc(OCCN3CCCC3)ccc12

BDBM368386

COc1ccc(NC(=O)C=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2cc(OCC3CCCN3C)ccc12

BDBM368387

COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2cc(OCCN3CCCC3)ccc12

BDBM368389

COc1ccc(NC(=O)C=C)cc1Nc1ncc(C#N)c(n1)-c1cn(C)c2cc(OCCC3CCCN3C)ccc12

BDBM50029668

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12

BDBM50029686

COc1cc(N2CC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM50029670

COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM368393

COc1cc(N(C)CCN2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM368394

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OCC(C)C)c(n1)-c1cn(C)c2ccccc12

BDBM368395

CCC(C)OC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc1-c1cn(C)c2ccccc12

BDBM368396

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1c[nH]c2ccccc12

BDBM368397

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2c(OC)cccc12

BDBM368398

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cnn2ccccc12

BDBM368399

COc1cc(N(C)CCN(C)CCF)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM368400

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ncccc12

BDBM368401

COc1cc(N(C)C[C@@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12 |r|

BDBM368402

COc1cc(N(C)C[C@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12 |r|

BDBM368403

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)O[C@@H]2CCOC2)c(n1)-c1cn(C)c2ccccc12 |r|

BDBM368404

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OCC#N)c(n1)-c1cn(C)c2ccccc12

BDBM368405

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(NC(=O)C(C)C)c(n1)-c1cn(C)c2ccccc12

BDBM368407

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(N(C)C(=O)C(C)C)c(n1)-c1cn(C)c2ccccc12

BDBM368408

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(NC(=O)C(C)(C)C)c(n1)-c1cn(C)c2ccccc12

BDBM368409

COc1cc(OC)c(Nc2ncc(NC(=O)C(C)(C)C)c(n2)-c2cn(C)c3ccccc23)cc1NC(=O)C=C

BDBM368410

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cn(C)c2c3CCCc3ccc12

BDBM368411

CCOC[C@@H](CN(C)C)Oc1cc(OC)c(Nc2ncc(Cl)c(n2)-c2cn(C)c3ccccc23)cc1NC(=O)C=C |r|

BDBM368412

COc1cc(C#CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cn(C)c2ccccc12

BDBM368414

COc1cc(C#CC(C)(C)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cn(C)c2ccccc12

BDBM368415

CCN(CC)CC(COC)Oc1cc(OC)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cc1NC(=O)C=C

BDBM368416

COCC(CN(C)C)Oc1cc(OC)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cc1NC(=O)C=C

BDBM368417

COc1cc(OCCN2CCCC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM368418

COc1cc(OCCN2CCOCC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM368419

COc1cc(OCCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM50029685

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM368421

CCN(CC)CCN(C)c1cc(OC)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)cc1NC(=O)C=C

BDBM368422

COc1cc(N(C)CCN2CCOCC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM368423

COc1cc(N2CCC(C2)N(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12

BDBM50029664

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

BDBM50029687

CNCCN(C)c1cc(OC)c(Nc2nccc(n2)-c2cn(C)c3ccccc23)cc1NC(=O)C=C

BDBM368426

CNCCN(C)c1cc(OC)c(Nc2ncc(C(=O)OC(C)C)c(n2)-c2cn(C)c3ccccc23)cc1NC(=O)C=C

BDBM368427

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1nn(C)c2ccccc12

BDBM368428

CCC(=O)Nc1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc1-c1nn(C)c2ccccc12

BDBM368429

COc1cc(N(C)C[C@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-n1ccc2ccccc12 |r|

BDBM368430

COc1cc(N(C)C[C@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1coc2ccccc12 |r|

BDBM368431

COC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)C[C@H]2CCCN2C)nc1-n1ccc2ccccc12 |r|

BDBM368432

COc1cc(N(C)C[C@H]2CCCN2C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM368433

CCOC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)C[C@H]2CCCN2C)nc1-c1cn(C)c2ccccc12 |r|

BDBM368434

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1c[nH]c2ncccc12

BDBM368435

COc1cc(OCCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12

BDBM368436

COC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)C#CCN(C)C)nc1-c1cn(C)c2ccccc12

BDBM368437

COC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(CCCN(C)C)cc2OC)nc1-c1cn(C)c2ccccc12

BDBM368438

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(CC(N)=O)c2ccccc12

BDBM368440

CCc1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc1-c1cn(CC(N)=O)c2ccccc12

BDBM368441

CCc1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc1-c1cn(CC(=O)NC)c2ccccc12

BDBM368442

COc1cc(N(C)C[C@@H]2CCCN2)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12 |r|

BDBM368443

CNCCN(C)c1cc(OC)c(Nc2ncc(C(=O)OC(C)C)c(n2)-c2cn(C)c3ncccc23)cc1NC(=O)C=C

BDBM368444

COC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(F)cc2OC)nc1-c1cn(N(C)C)c2ccccc12

BDBM368445

COC(=O)c1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc1-c1cn(N(C)C)c2ccccc12

BDBM368446

CCn1cc(-c2nc(Nc3cc(NC(=O)C=C)c(cc3OC)N(C)CCN(C)C)ncc2C(=O)OC(C)C)c2ccccc12

BDBM368447

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C(C)=O)c2ccccc12

BDBM368448

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C2CC2)c2ccccc12

BDBM368449

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cccc(C)c12

BDBM368450

COC(=O)c1ccc2n(C)cc(-c3ccnc(Nc4cc(NC(=O)C=C)c(cc4OC)N(C)CCN(C)C)n3)c2c1

BDBM368452

COC(=O)c1ccc2c(cn(C)c2c1)-c1ccnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)n1

BDBM368453

COC(=O)c1cccc2c(cn(C)c12)-c1ccnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)n1

BDBM368454

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cc(ccc12)C(=O)OC(C)C

BDBM368455

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2c(cccc12)C(=O)OC(C)C

BDBM368457

COC(=O)c1c(-c2ccnc(Nc3cc(NC(=O)C=C)c(cc3OC)N(C)CCN(C)C)n2)c2ccccc2n1C

BDBM368458

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c(C(=O)OC(C)C)n(C)c2ccccc12

BDBM368459

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c(C#N)n(C)c2ccccc12

BDBM368460

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cc(ccc12)C#N

BDBM368462

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c(C(N)=O)n(C)c2ccccc12

BDBM368463

CNC(=O)c1c(-c2ccnc(Nc3cc(NC(=O)C=C)c(cc3OC)N(C)CCN(C)C)n2)c2ccccc2n1C

BDBM368464

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1c(C(=O)N(C)C)n(C)c2ccccc12

BDBM368465

COCCNC(=O)c1c(-c2ccnc(Nc3cc(NC(=O)C=C)c(cc3OC)N(C)CCN(C)C)n2)c2ccccc2n1C

BDBM368466

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cnc2ccccn12

BDBM368467

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2cc(ccc12)-c1cnn(C)c1

BDBM368468

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(c(n1)-c1cn(C)c2ccccc12)P(C)(C)=O

BDBM368469

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-n1cc(C)c2ccccc12

BDBM368470

COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1nn(C)c2ccccc12

BDBM368471

CNC(=O)Nc1cnc(Nc2cc(NC(=O)C=C)c(cc2OC)N(C)CCN(C)C)nc1-c1cn(C)c2ccccc12

BDBM378885

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

BDBM391731

COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O

BDBM391732

COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)C(C)=O

BDBM391733

COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1=CCN(CC1)C(C)=O |t:34|

BDBM391734

COc1cc2CN(CCc2cc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C(C)=O

BDBM391735

COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)C1CCN(CC1)C(C)=O

BDBM391736

COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)C1=CCN(CC1)C(C)=O |t:34|