Chemical Compound

CHEMBL5857865

CHEMBL5857865 chemical structure
Primary Record

CHEMBL5857865

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
142622441
SMILES
CCC12CC(C1)(C2)C3=C(CCC(C3)(C)C)CN4CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NCC7CCOCC7)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9
Canonical SMILES
CCC12CC(C3=C(CN4CCN(c5ccc(C(=O)NS(=O)(=O)c6ccc(NCC7CCOCC7)c([N+](=O)[O-])c6)c(Oc6cnc7[nH]ccc7c6)c5)CC4)CCC(C)(C)C3)(C1)C2

Names & Synonyms

  • CHEMBL5857865
  • SCHEMBL22581331
  • SCHEMBL31366690
  • BDBM552915
  • BDBM555311
  • US11318134, Example 23
  • US11344546, Example 23
  • 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(3-ethylbicyclo[1.1.1]pentan-1-yl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methylamino)phenylsulfonyl)benzamide
  • 4-[4-[[2-(1-ethyl-3-bicyclo[1.1.1]pentanyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide