gsk-1004723 Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

641.3

ALogP

7.77

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1
  • InChIKey: YANGEESWIGIKOP-UUWRZZSWSA-N
    InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1767164   ChEMBL
gsk-1004723

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