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Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

284.34

ALogP

2.36

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
  • InChIKey: XHWRWCSCBDLOLM-UHFFFAOYSA-N
    InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL320775   ChEMBL
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Nolatrexed   Wikipedia

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