Chemical Compound

SCHEMBL1699839

SCHEMBL1699839 chemical structure
Primary Record

SCHEMBL1699839

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
67126364
SMILES
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(N=C5)NCC6CCC(CC6)(C)O)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C
Canonical SMILES
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(NCC5CCC(C)(O)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

Names & Synonyms

  • SCHEMBL1699839
  • SCHEMBL1699843
  • SCHEMBL1699854
  • CHEMBL3948201
  • CHEMBL5946724
  • CHEMBL6059119
  • SCHEMBL30313951
  • BDBM189797
  • BDBM356985
  • BDBM356989
  • US10213433, Compound 371
  • US10213433, Compound 376
  • US9174982, 371
  • US9174982, 376
  • 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-[(6-{[(cis-4-hydroxy-4-methylcyclohexyl)methyl]amino}-5-nitropyridin-3-yl)sulfonyl]-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
  • 4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-[(6-{[(trans-4-hydroxy-4-methylcyclohexyl)methyl]amino}-5-nitropyridin-3-yl)sulfonyl]-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide