biib021 Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

318.77

ALogP

2.13

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C
  • InChIKey: QULDDKSCVCJTPV-UHFFFAOYSA-N
    InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL467399   ChEMBL
biib021

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