ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL38520
CHEMBL38520
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H17BrN2O2

Additional synonyms for CHEMBL38520 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2[nH]c3CCC(Cc3c2c1)NC(=O)CBr
Standard InChI InChI=1S/C15H17BrN2O2/c1-20-10-3-5-14-12(7-10)11-6-9(17-15(1 ...
Download InChI
Standard InChI Key KLIVSNNQCRWUPQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL38520

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
337.2 336.0473 2.54 3 54.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.31 - 1.69 1.69 2 20 0.85

Structural Alerts

There are 13 structural alerts for CHEMBL38520. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KLIVSNNQCRWUPQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL38520



BindingDB 50212931
Nikkaji J921.507G
PubChem 44286809

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