Avosentan Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

479.52

ALogP

3.85

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(C)cn3)nc(nc2OC)c4ccncc4
  • InChIKey: YBWLTKFZAOSWSM-UHFFFAOYSA-N
    InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107803   ChEMBL

CHEMBL3989834   ChEMBL
avosentan

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