SMILES for Tumor necrosis factor receptor superfamily member 1A

127 SMILES Strings for Tumor necrosis factor receptor superfamily member 1A

Compound Name

SMILES String

COc1ccc2cc3C(=O)N(CC=C)C(=S)n3c2c1

CCN1C(=S)N(CC)C(=O)C(=Cc2cc3ccccc3[nH]2)C1=O |(14.6,3.66,;15.96,4.39,;17.29,3.57,;17.31,2.03,;15.99,1.24,;18.67,1.28,;18.6,-.24,;19.91,-1.06,;19.98,2.09,;21.34,1.35,;19.95,3.62,;21.27,4.42,;22.62,3.68,;24,4.34,;25.05,3.22,;26.59,3.26,;27.39,1.95,;26.66,.6,;25.11,.56,;24.32,1.87,;22.81,2.15,;18.6,4.37,;18.57,5.93,)|

BDBM50123283

COc1cc(OC)c2c(c1)n1c(c(S)n(CC=C)c1=S)c2=C

BDBM50123284

CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O |(19.82,-5.92,;18.51,-5.1,;18.58,-3.56,;17.22,-2.82,;15.89,-3.61,;17.2,-1.27,;15.86,-.45,;14.51,-1.2,;18.51,-.48,;18.48,1.07,;19.86,-1.22,;21.18,-.43,;22.54,-1.17,;22.73,-2.7,;24.24,-2.98,;24.97,-1.62,;26.47,-1.27,;26.93,.2,;25.86,1.33,;26.3,2.8,;27.8,3.17,;28.24,4.65,;27.19,5.77,;27.61,7.24,;29.14,7.59,;30.19,6.48,;29.74,5,;24.36,.97,;23.92,-.5,;19.89,-2.76,;21.25,-3.51,)|

BDBM50123285

CCN1C(=O)c2cc3c(OC)cc(OCOC)cc3n2C1=S

BDBM50123287

CCN1C(=O)c2cc3c(OC)cc(OCC(=O)OC(C)(C)C)cc3n2C1=S

BDBM50123286

Cc1ccccc1N1C(=S)N(C(=O)C(=Cc2c[nH]c3ccccc23)C1=O)c1ccccc1C |(14.85,3.89,;13.35,3.48,;12.26,4.59,;10.76,4.17,;10.36,2.66,;11.46,1.56,;12.96,1.98,;14.05,.88,;13.72,-.63,;12.26,-1.1,;14.86,-1.66,;16.34,-1.2,;17.48,-2.22,;16.64,.3,;18.11,.79,;19.26,-.26,;19.09,-1.78,;20.49,-2.41,;21.52,-1.27,;23.06,-1.27,;23.83,.06,;23.06,1.39,;21.52,1.39,;20.77,.07,;15.52,1.35,;15.84,2.85,;14.45,-3.15,;12.96,-3.52,;12.55,-5,;13.63,-6.1,;15.12,-5.7,;15.52,-4.23,;17.02,-3.83,)|

BDBM50123288

COc1cc(OC)c2cc3C(=O)N(CC=C)C(=S)n3c2c1

BDBM50123289

CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccsc2C(=O)OC)C1=O

BDBM50123290

[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(-[#6])s2)-[#6]-1=O

BDBM50123291

CCN1C(=S)S\C(=C/c2ccc(s2)-c2cc(nn2C)C(F)(F)F)C1=O

BDBM50123292

FC(F)(F)c1ccccc1-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6](=S)-[#7](-[#6]-2=O)-c2ccccc2)-c2ccccc2)o1

BDBM50123293

COc1cc(OC)c2c(c1)n1c(c(S)n(CC=C)c1=O)c2=C

BDBM50123295

Cc1ccccc1N1C(=S)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:14.15|

BDBM50123294

COc1cc2n3C(=S)N(CC=C)C(=O)c3cc2c(OC)c1OC

BDBM50123296

COc1cc(OC)c2c(c1)n1c(c(O)n(CC=C)c1=S)c2=C

BDBM50123297

COc1cc(OC)c2cc3C(=S)N(CC=C)C(=O)n3c2c1

BDBM50123300

CCN1C(=O)C(=Cc2c[nH]c3ccc(cc23)[N+]([O-])=O)C(=O)N(CC)C1=S |(18.65,-7.89,;17.34,-7.08,;17.41,-5.54,;18.73,-4.74,;20.08,-5.48,;18.69,-3.2,;20,-2.41,;21.35,-3.16,;21.54,-4.67,;23.05,-4.97,;23.79,-3.62,;25.29,-3.27,;25.74,-1.8,;24.66,-.66,;23.17,-1.03,;22.74,-2.5,;25.11,.82,;26.6,1.18,;24.05,1.94,;17.34,-2.46,;17.32,-.92,;16.03,-3.25,;14.7,-2.43,;13.35,-3.18,;16.06,-4.79,;14.74,-5.58,)|

BDBM50123301

COc1cccc2n3C(=S)N(CC=C)C(=O)c3cc12

BDBM50123302

COc1cc(OC)c2cc3C(=O)N(CCCN4CCOCC4)C(=S)n3c2c1

BDBM50123303

CN1C(=S)N(C)C(=O)C(=Cc2c[nH]c3ccccc23)C1=O |(14.6,.23,;15.01,1.72,;13.87,2.76,;12.4,2.29,;14.2,4.27,;13.1,5.37,;15.67,4.74,;15.99,6.24,;16.8,3.69,;18.27,4.18,;19.41,3.13,;19.25,1.61,;20.65,.97,;21.68,2.12,;23.23,2.12,;24,3.45,;23.23,4.79,;21.68,4.79,;20.93,3.46,;16.49,2.19,;17.63,1.16,)|

BDBM50123309

COc1cc(OC)c2cc3C(=O)N(CCc4ccccc4)C(=S)n3c2c1

BDBM50123306

[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2sccc2-[#6])-[#6]-1=O

BDBM50123298

CCN1C(=O)c2cc3c(OC)cc(OCc4ccccn4)cc3n2C1=S

BDBM50123299

[#6]-[#8]-[#6](=O)-c1sccc1-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6](=S)-[#7](-[#6]-2=O)-c2ccccc2)-c2ccccc2)o1

BDBM50123311

[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(Br)s2)-[#6]-1=O

BDBM50123304

[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(o2)-c2ccsc2-[#6](=O)-[#8]-[#6])-[#6]-1=O

BDBM50123305

CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3ccccc23)C1=O |(13.38,3.48,;12.98,1.98,;14.08,.88,;13.75,-.63,;12.28,-1.1,;14.89,-1.67,;14.48,-3.16,;15.56,-4.26,;16.37,-1.2,;17.51,-2.23,;16.68,.3,;18.15,.79,;19.3,-.26,;19.13,-1.78,;20.54,-2.42,;21.57,-1.27,;23.11,-1.27,;23.88,.06,;23.11,1.39,;21.57,1.39,;20.81,.07,;15.55,1.35,;15.88,2.85,)|

BDBM50123308

CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2C(F)(F)F)C1=O

BDBM50123307

CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3c(C)cccc23)C1=O |(19.91,-1.06,;18.6,-.24,;18.66,1.28,;17.31,2.03,;15.99,1.24,;17.29,3.57,;15.96,4.39,;14.6,3.66,;18.59,4.37,;18.57,5.93,;19.95,3.62,;21.27,4.42,;22.62,3.68,;22.81,2.15,;24.32,1.86,;25.05,3.22,;26.55,3.57,;27.61,2.44,;27,5.04,;25.94,6.17,;24.44,5.81,;24,4.34,;19.98,2.09,;21.34,1.35,)|

BDBM50123310

[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2cn(-[#6])c3ccccc23)-[#6]-1=O

BDBM50123312

[#6]-[#6]-[#7]-1-[#6](=O)\[#6](=[#6]\c2ccc(o2)-c2ccccc2C(F)(F)F)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-1=S

BDBM50123313

CCN1C(=O)c2cc3c(OC)cc(OC)cc3n2C1=S

BDBM50141476

COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1)-c1cccs1

BDBM50141477

COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OCC(O)=O)c(OC)c1)-c1cccs1

BDBM50141479

COc1c(cc(cc1C(C)(C)C)C(=O)\C=C\c1ccccc1)C(C)(C)C

BDBM50141478

COc1ccc(cc1OC)C(=O)\C=C\c1ccc(cc1)-c1cccs1

BDBM50141481

COc1cc(OC)c(cc1\C=C\C(=O)c1cc(OC)c(O)c(OC)c1)-c1cc2ccccc2s1

BDBM50141482

COc1cc(\C=C\C(=O)c2cc(OC)c(OCc3cccs3)c(OC)c2)cc(OC)c1OC

BDBM50141480

COc1ccc(cc1OC)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1

BDBM50141484

COc1ccc(cc1OC)C(=O)\C=C\c1cc(ccc1OC)-c1cc(C)cs1

BDBM50141483

COc1cc(OC)c(CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br

BDBM50141487

COc1cc(OC)c(cc1OC)C(=O)\C=C\c1cc(Br)c(OC)c(OC)c1

BDBM50141485

CCOc1cc(OCC)c(cc1OCC)C(=O)\C=C\c1cc(Br)c(OC)c(OC)c1

BDBM50141486

COCCOc1c(OC)cc(cc1OC)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1

BDBM50141488

COc1cc(\C=C\C(=O)c2ccc3OC(O)(O)Oc3c2)cc(-c2cccs2)c1OC

BDBM50141489

COc1ccc(Br)cc1CCC(=O)c1cc(OC)c(OC)c(OC)c1

BDBM50141490

COc1ccc(cc1\C=C\C(=O)c1ccc2OCOc2c1)-c1ccc(C)s1

BDBM50141491

COc1ccc(cc1\C=C\C(=O)c1c(OC)cccc1OC)-c1cccs1

BDBM50141492

COc1cc(ccc1OCc1ccc(cc1)C(O)=O)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1

BDBM50141493

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)\C=C\c1ccccc1

BDBM50141494

COC1=C(Oc2ccccc2O1)c1c(OC)cc(cc1OC)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 |t:2|

BDBM50141495

COc1cc(OCC(O)=O)c(\C=C\C(=O)c2ccccc2)cc1-c1cc2ccccc2s1

BDBM50141496

COc1ccc(cc1OC)C(=O)\C=C\c1cc(ccc1OC)-c1cc2ccccc2s1

BDBM50141497

COc1cc(ccc1C(=O)\C=C\c1ccc(F)c(F)c1)-c1cccs1

BDBM50141498

COc1cc(ccc1O)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1

BDBM50141499

COc1cc(OC)c(cc1\C=C\C(=O)c1ccc(OC(C)(C)C(O)=O)cc1)-c1cc2ccccc2s1

BDBM50141500

COc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2)cc1

BDBM50141502

COC1=C(Oc2ccccc2O1)c1ccc(cc1OC)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 |t:2|

BDBM50141503

COc1cc(OC)c(cc1\C=C\C(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1)-c1cc2ccccc2s1

BDBM50107259

COc1ccc(cc1)C(=O)\C=C\c1ccc(OC)cc1OC

BDBM50141504

COc1ccc(\C=C\C(=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1

BDBM50141501

COc1cc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OC

BDBM50141506

COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccc(cc1)-c1cccs1

BDBM50141505

COc1cc(ccc1OCc1ccc(N)cc1)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1

BDBM50141508

COc1ccc(cc1OC)C(=O)\C=C\c1cc(ccc1OC)-c1ccc(C)s1

BDBM50141507

COc1cc(OC)c(cc1\C=C\C(=O)c1ccc(SCC(O)=O)cc1)-c1cc2ccccc2s1

BDBM29143

O=C(\C=C\c1ccccc1)c1ccccc1

BDBM50141509

COc1ccc(cc1)C(=O)\C=C\c1cc(ccc1OC)-c1cc2ccccc2s1

BDBM50141510

COc1cc(\C=C\C(=O)c2cc(OC)c(OCc3ccc4OCOc4c3)c(OC)c2)cc(OC)c1OC

BDBM50141511

COc1ccc(cc1OC)C(=O)\C=C\c1cc(-c2cc3ccccc3s2)c(OC)cc1OC

BDBM50141513

CCOc1ccc(\C=C\C(=O)c2cc(ccc2OC)-c2cccs2)cc1F

BDBM50141518

COc1ccc(cc1\C=C\C(=O)c1ccccc1)-c1cccs1

BDBM50141516

COc1cc(OC)cc(c1)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1

BDBM50141517

COc1cc(OC(C)(C)C(O)=O)c(\C=C\C(=O)c2ccc(cc2)C(F)(F)F)cc1-c1cccs1

BDBM50141514

COc1cc(COc2c(OC)cc(cc2OC)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

BDBM50141515

COc1ccc(cc1OC)C(=O)\C=C\c1ccccc1

BDBM50141512

COc1ccc(C(=O)\C=C\c2cc(-c3cc4ccccc4s3)c(OC)cc2OC)c(OC)c1OC

BDBM50141526

COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1)-c1ccc(C)s1

BDBM50141524

COc1ccc(COc2c(OC)cc(cc2OC)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC

BDBM50141532

COc1ccc(cc1)C(=O)\C=C\c1ccccc1

BDBM50141533

COc1cc(ccc1OCc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)C=Cc1cc(ccc1OC)-c1cccs1 |w:27.29|

BDBM50141519

COc1cc(\C=C\C(=O)c2cc(OC)c(OCc3ccco3)c(OC)c2)cc(OC)c1OC

BDBM50107308

COc1ccc(\C=C\C(=O)c2ccc(OC)cc2OC)cc1

BDBM50141520

COc1ccc(cc1\C=C\C(=O)c1ccc(OCc2cccnc2)c(OC)c1)-c1cccs1

BDBM50141521

COc1ccc(cc1)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1

BDBM50141525

COc1ccc(OC)c(c1)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1

BDBM50141536

COc1cc(\C=C\C(=O)c2cc(OC)c(OCC(O)=O)c(OC)c2)cc(-c2cccs2)c1OC

BDBM50141523

COc1cc(C=CC(=O)c2ccc(cc2OC)-c2cccc(c2)C(C)=O)cc(OC)c1OC |w:5.4|

BDBM50141527

COc1ccc(COc2ccc(cc2OC)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC

BDBM50141528

COc1ccc(cc1)C(=O)\C=C\c1ccc(OC)c(OC)c1

BDBM50141522

COc1cc(ccc1OCc1ccncc1)C(=O)\C=C\c1cc(ccc1OC)-c1cccs1

BDBM50141537

COc1cc(OC)c(cc1\C=C\C(=O)c1cc(OC)c(OCC2CC2)c(OC)c1)-c1cc2ccccc2s1

BDBM50141540

COc1cc(OC)c(C(=O)\C=C\c2cc(ccc2OC)-c2cccs2)c(OC)c1

BDBM50141534

COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1)-c1cc2ccccc2s1

BDBM50141535

COc1ccc(\C=C\C(=O)c2cc(c(OC)c(c2)C(C)(C)C)C(C)(C)C)cc1

BDBM50141538

COc1cc(OC)c(cc1\C=C\C(=O)c1ccc(OC)c(OC)c1OC)-c1cccs1

BDBM50141531

COc1cc(OC)c(cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1)-c1cc2ccccc2s1

BDBM50141529

COc1ccc(COc2c(OC)cc(cc2OC)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1

BDBM50141530

COc1ccc(cc1\C=C\C(=O)c1ccc2OCOc2c1)-c1cccs1

BDBM50141542

COc1ccc(cc1\C=C\C(=O)c1ccc(OCc2ccccn2)c(OC)c1)-c1cccs1

BDBM50141541

COc1cc(cc(OC)c1OC)C(=O)C=Cc1cc(OC)c(OC)c(c1)-c1ccc(s1)C(C)=O |w:14.14|

BDBM50068258

Fc1ccc(\C=C\C(=O)c2ccc(F)cc2)cc1

BDBM50141539

COc1ccc(c(OC)c1)-c1cc(C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)c(OC)cc1OC

BDBM50141547

CCOC(=O)c1ccc(COc2ccc(cc2OC)C(=O)\C=C\c2cc(ccc2OC)-c2cccs2)cc1

BDBM50047376

COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccccc1

BDBM50141544

COc1ccc(cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1)-c1cc(C)cs1

BDBM50141545

COc1cc(\C=C\C(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)cc(Br)c1OC

BDBM50141546

COc1ccc(cc1\C=C\C(=O)c1ccc2OCOc2c1)-c1cc(C)cs1

BDBM50141543

Fc1ccc(cc1)C(=O)\C=C\c1ccc(F)c(c1)-c1cccs1

BDBM50141549

COc1cc(OC)c(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br

BDBM50141548

COc1ccc(Br)cc1\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1

BDBM50373071

CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12

BDBM50107848

Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|

BDBM50107847

Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|

BDBM50107915

COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1 |r|

BDBM50107893

OC[C@H]1C[C@@H](Nc2nc(Nc3ccnc(OC4CC4)c3)ncc2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|

BDBM50107866

CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1 |r|

BDBM50107864

Cc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)cc(C)n1 |r|

BDBM50107852

Cc1cc(Nc2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(cn2)-c2nc3ccccc3s2)cc(C)n1 |r|

BDBM50255012

CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1

BDBM50255013

N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|

BDBM50255048

OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|

BDBM50255049

OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|

BDBM50457655

Clc1ccc(-c2nc(cs2)C(=O)NNC(=O)c2ccccn2)c(Cl)c1

BDBM50619088

CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|

BDBM50622235

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|