calcipotriene (dovonex) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

412.6047

ALogP

5.09

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]2CC[C@@H]3[C@]2(C)CCC\C3=C/C=C4/C[C@@H](O)C[C@H](O)C4=C
  • InChIKey: LWQQLNNNIPYSNX-UROSTWAQSA-N
    1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1200666   ChEMBL
calcipotriene

CHEMBL1234231   ChEMBL
calcipotriol

CHEMBL1497   ChEMBL
betamethasone valerate

143NQ3779B   NCATS
calcipotriene *

Calcipotriol   Wikipedia

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