Chemical Compound

CHEMBL5886834

CHEMBL5886834 chemical structure
Primary Record

CHEMBL5886834

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
146001142
SMILES
CC1(CCC(=C(C1)C23CC(C2)(C3)C(F)F)CN4CCN(CC4)C5=CC=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCOCC7)CSC8=CC=CC=C8)[N+](=O)[O-])C
Canonical SMILES
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c([N+](=O)[O-])c4)cc3)CC2)=C(C23CC(C(F)F)(C2)C3)C1

Names & Synonyms

  • CHEMBL5886834
  • SCHEMBL22581490
  • SCHEMBL31366685
  • YHTGLYIEPILRIM-JQMOLWQLSA-N
  • BDBM552938
  • BDBM555334
  • US11318134, Example 58
  • US11344546, Example 58
  • 4-[4-[[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(1R)-3-morpholino-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide
  • (R)-4-(4-((2-(3-(difluoromethyl)bicyclo[1.1.1]pentan-1-yl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((4-((4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-nitrophenyl)sulfonyl)benzamide