SMILES for NAD kinase

43 SMILES Strings for NAD kinase

Compound Name

SMILES String

BDBM50208737

CN(C)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r|

BDBM50208779

COc1ccc2[nH]cc(CCNC(=O)CSc3nc4c(N)ncnc4n3[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c2c1 |r|

BDBM50295366

C[C@@]1(O)[C@H](O)[C@@H](CSSC[C@H]2O[C@@H](n3cnc4c(N)ncnc34)[C@](C)(O)[C@@H]2O)O[C@H]1n1cnc2c(N)ncnc12 |r|

BDBM50208795

C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r|

BDBM50208744

Cn1cc(CCNC(=O)CSc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]2O)c2ccccc12 |r|

BDBM50203628

NC(=O)c1cccc(c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |w:18.19,14.15|

BDBM50593321

NC(=O)c1cccc(c1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)O1 |r|

BDBM50295363

NC(=O)c1csc(n1)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|

BDBM141969

NC[C@H]1O[C@H]([C@@H](O)C1O)n1c(SCC(=O)NC[C@H]2O[C@H]([C@@H](O)C2O)n2cnc3c(N)ncnc23)nc2c(N)ncnc12 |r|

BDBM50208736

NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Br)cc2)nc2c(N)ncnc12 |r|

BDBM50208741

NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(SCC(=O)NCCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r|

BDBM50208745

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCC#C)nc12 |r|

BDBM50208743

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCCc3ccccc3)nc12 |r|

BDBM50208778

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)nc12 |r|

BDBM50208805

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3c[nH]c4ccccc34)nc12 |r|

BDBM50208802

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Br)cc3)nc12 |r|

BDBM50208904

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Cl)c(Cl)c3)nc12 |r|

BDBM50208774

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Cl)cc3)nc12 |r|

BDBM50208781

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(cc3)C(F)(F)F)nc12 |r|

BDBM50208740

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc4ccccc4c3)nc12 |r|

BDBM50208742

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Br)c3)nc12 |r|

BDBM50208878

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Cl)c3)nc12 |r|

BDBM50208775

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(c3)C(F)(F)F)nc12 |r|

BDBM50208738

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccccc3)nc12 |r|

BDBM50208777

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3nc4ccccc4[nH]3)nc12 |r|

BDBM50208780

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCc3cccc(Br)c3)nc12 |r|

BDBM50208874

Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCc3ccnc(Cl)c3)nc12 |r|

BDBM50208905

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)nc12 |r|

BDBM50208773

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Br)cc3)nc12 |r|

BDBM50208776

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(Cl)c(Cl)c3)nc12 |r|

BDBM50208734

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Br)c3)nc12 |r|

BDBM50208735

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3cccc(Cl)c3)nc12 |r|

BDBM50208906

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccccc3)nc12 |r|

BDBM50208739

Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(SCCC(=O)NCCc3cccc(Br)c3)nc12 |r|

BDBM50295365

Nc1ncnc2n([C@@H]3O[C@H](CSSC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4c(Br)nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(Br)nc12 |r|

BDBM50295367

Nc1ncnc2n([C@@H]3O[C@H](CSSC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4c(nc5c(N)ncnc45)-c4ccccc4)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1 |r|

BDBM141970

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)C(O)[C@@H]1O |r|

BDBM141971

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCC#Cc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)C(O)[C@@H]1O |r|

BDBM50295364

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2c(Br)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|

BDBM50295362

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|

BDBM50187665

O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r|

BDBM50373220

O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1

BDBM50070942

Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|