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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL47183
CHEMBL47183
Compound Name
ChEMBL Synonyms 24, 25-Dihydroxy Vitamin D3
Max Phase 0
Trade Names
Molecular Formula C27H44O3

Additional synonyms for CHEMBL47183 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CC ...
Download SMILES
Standard InChI InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16- ...
Download InChI
Standard InChI Key FCKJYANJHNLEEP-SRLFHJKTSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL47183

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
416.6 416.329 5.44 6 60.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 1 3 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.74 5.74 0 30 0.54

Structural Alerts

There are 3 structural alerts for CHEMBL47183. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FCKJYANJHNLEEP-SRLFHJKTSA-N
Wikipedia 24,25-Dihydroxycholecalciferol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL47183



ACToR 40013-87-4
Nikkaji J62.772K
PubChem 6434253
PubChem: Thomson Pharma 96060399
SureChEMBL SCHEMBL1242915

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FCKJYANJHNLEEP-SRLFHJKTSA-N spacer
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