cholic acid (cholbam) Report issue

Small molecule Orphan Drug FDA Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA MeSH PubChem repoDB

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Chemistry

Mol. Mass

408.5714

ALogP

3.45

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
  • InChIKey: BHQCQFFYRZLCQQ-OELDTZBJSA-N
    1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL205596   ChEMBL
cholic acid

G1JO7801AE   NCATS
cholic acid *

Cholic acid   Wikipedia

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