Chemical Compound

SCHEMBL1701831

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SCHEMBL1701831 chemical structure
Primary Record

SCHEMBL1701831

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
49846236
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(C=C5)OC6CCC(CC6)N7CCOCC7)[N+](=O)[O-])OC8=CN=C9C(=C8)C=CN9)C
Canonical SMILES
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OC5CCC(N6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

Names & Synonyms

  • SCHEMBL1701831
  • SCHEMBL1701833
  • CHEMBL3959963
  • CHEMBL5925402
  • SCHEMBL30314011
  • BDBM189508
  • BDBM356678
  • US10213433, Compound 60
  • US9174982, 60
  • trans-4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-({4-[(4-morpholin-4-ylcyclohexyl)oxy]-3-nitrophenyl}sulfonyl)-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide