ispinesib Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

517.07

ALogP

5.59

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1
  • InChIKey: QJZRFPJCWMNVAV-HHHXNRCGSA-N
    InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL228814   ChEMBL
ispinesib

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