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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

Sources

  • Scientific Literature

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

Structural Alerts

There are no structural alerts for CHEMBL479587

Compound Cross References

ChemSpider ChemSpider:ZZJYIKPMDIWRSN-RQTOMXEWSA-N
Wikipedia Butaclamol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL479587



ACToR 51152-91-1
BindingDB 50292410
PubChem 24847750

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