usistapide Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

572.63

ALogP

7.72

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC(=O)[C@@H](N1CCC(CC1)c2ccc(NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F)cc2)c5ccccc5
  • InChIKey: WSYALRNYQFNNGP-HKBQPEDESA-N
    InChI=1S/C34H31F3N2O3/c1-42-33(41)31(26-7-3-2-4-8-26)39-21-19-24(20-22-39)23-13-17-28(18-14-23)38-32(40)30-10-6-5-9-29(30)25-11-15-27(16-12-25)34(35,36)37/h2-18,24,31H,19-22H2,1H3,(H,38,40)/t31-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2103860   ChEMBL
usistapide

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