obatoclax Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

317.39

ALogP

4.49

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C
  • InChIKey: RFTSSZJZXOSICM-GRSHGNNSSA-N
    InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10-
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL408194   ChEMBL
obatoclax *

CHEMBL2107358   ChEMBL
obatoclax mesylate

Obatoclax   Wikipedia

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