piritrexim Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

325.37

ALogP

2.11

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
  • InChIKey: VJXSSYDSOJBUAV-UHFFFAOYSA-N
    InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL7492   ChEMBL
piritrexim

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