epetirimod esylate Report issue

Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

369.45

ALogP

2.22

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)Cn1cnc2c(N)nc3cccnc3c21.CCS(=O)(=O)O.O
  • InChIKey: WGQREWBBEJMLOV-UHFFFAOYSA-N
    InChI=1S/C13H15N5.C2H6O3S.H2O/c1-8(2)6-18-7-16-11-12(18)10-9(17-13(11)14)4-3-5-15-10;1-2-6(3,4)5;/h3-5,7-8H,6H2,1-2H3,(H2,14,17);2H2,1H3,(H,3,4,5);1H2
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2103808   ChEMBL
epetirimod esylate

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