Chemical Compound

CHEMBL5827545

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CHEMBL5827545 chemical structure
Primary Record

CHEMBL5827545

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
137355917
SMILES
C1CC2(C1)CCC(=C(C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C5=CC(=C(C=C5)C(=O)NS(=O)(=O)C6=CC7=C(C(=C6)[N+](=O)[O-])N=C(N7)C8=CC=NC=C8)OC9=CN=C1C(=C9)C=CN1
Canonical SMILES
O=C(NS(=O)(=O)c1cc([N+](=O)[O-])c2nc(-c3ccncc3)[nH]c2c1)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC4(CCC4)CC3)CC2)cc1Oc1cnc2[nH]ccc2c1

Names & Synonyms

  • CHEMBL5827545
  • SCHEMBL20580429
  • SCHEMBL29651993
  • BDBM361593
  • US10221174, Compound 66
  • 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(4-chlorophenyl)spiro[3.5]non-6-en-7 yl)methyl)piperazin-1-yl)-N-((7-nitro-2- (pyridin-4-yl)-1H-benzo[d]imidazol-5- yl)sulfonyl)benzamide