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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL534232
CHEMBL534232
Compound Name BRL-15,572
ChEMBL Synonyms BRL-15572
Max Phase 0
Trade Names
Molecular Formula C25H27ClN2O

Additional synonyms for CHEMBL534232 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CN1CCN(CC1)c2cccc(Cl)c2)C(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15- ...
Download InChI
Standard InChI Key QJHCTHPYUOXOGM-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL534232

Alternate Forms of Compound in ChEMBL


CHEMBL534232

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
407 406.1812 5.36 6 26.71 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.14 4.32 4.24 3 29 0.6

Compound Cross References

ChemSpider ChemSpider:QJHCTHPYUOXOGM-UHFFFAOYSA-N
PubChem SID: 124879460 SID: 90340857
Wikipedia BRL-15,572

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL534232



ACToR 734517-40-9
BindinDB 85165
ChEBI 64060
eMolecules 31240653
Guide to Pharmacology 10
LINCS LSM-1618
Nikkaji J878.866I
PubChem 3654103
SureChEMBL SCHEMBL7741355

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