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ChEMBL ID CHEMBL846
PubChem CID 5280453
DrugBank Accession Number DB00136
ClinicalTrials CALCITRIOL
Molecular Formula C27H44O3
Inchikey GMRQFYUYWCNGIN-NKMMMXOESA-N

Smiles
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C

Synonyms
1ALPHA,25-DIHYDROXYCHOLECALCIFEROL, 1ALPHA,25-DIHYDROXYVITAMIN D3, CALCIJEX, CALCITRIOL, Calcijex, Calcitriol, Dihydroxycholecalciferol, Dihydroxyvitamin D 3, RO 21-5535, ROCALTROL, Ro-21-5535, Rocaltrol, Topitriol, Vectical

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 416.64
Rotatable Bonds 6
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) 5.63
LogD (ACD) 5.63
ALogP 5.18
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