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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL520992
CHEMBL520992
Compound Name
ChEMBL Synonyms SKF-83959
Max Phase 0
Trade Names
Molecular Formula C18H21BrClNO2

Additional synonyms for CHEMBL520992 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Br.CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c3cccc(C)c3
Standard InChI InChI=1S/C18H20ClNO2.BrH/c1-11-4-3-5-12(8-11)15-10-20(2)7-6- ...
Download InChI
Standard InChI Key FHYWNBUFNGHNCP-UHFFFAOYSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL520992. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL520992

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
317.8 317.1183 4.32 1 43.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.7 6.87 3.32 3.19 2 22 0.77

Compound Cross References

ChemSpider ChemSpider:FHYWNBUFNGHNCP-UHFFFAOYSA-N
PubChem SID: 50106967 SID: 56463458
Wikipedia SKF-83,959

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL520992



ACToR 67287-95-0
ChEBI 63996
eMolecules 594261
MolPort MolPort-003-959-525
PubChem 11957685
SureChEMBL SCHEMBL12610614

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