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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL479587
CHEMBL479587
Compound Name (-)-BUTACLAMOL
ChEMBL Synonyms Butaclamol | L-Butaclamol
Max Phase 0
Trade Names
Molecular Formula C25H31NO

Additional synonyms for CHEMBL479587 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)[C@]1(O)CCN2C[C@@H]3c4ccccc4CCc5cccc([C@H]2C1)c35
Standard InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7- ...
Download InChI
Standard InChI Key ZZJYIKPMDIWRSN-RQTOMXEWSA-N

Structural Alerts

There are no structural alerts for CHEMBL479587

Alternate Forms of Compound in ChEMBL


CHEMBL479587

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
361.5 361.2406 4.71 1 23.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.77 3.81 3.21 2 27 0.8

Compound Cross References

ChemSpider ChemSpider:ZZJYIKPMDIWRSN-RQTOMXEWSA-N
Wikipedia Butaclamol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL479587



ACToR 51152-91-1
BindinDB 50292410
PubChem 24847750

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