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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

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 BASE


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
- 9.87 1.99 -.48 2 22 0.77

Structural Alerts

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

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
EPA CompTox Dashboard DTXSID9042629
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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