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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL132082
CHEMBL132082
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H15ClN2O2

Additional synonyms for CHEMBL132082 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2C3=NCCN3C(O)(c4ccc(Cl)cc4)c2c1
Standard InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8- ...
Download InChI
Standard InChI Key LCWPWPFSABPKJM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL132082

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
314.8 314.0822 2.62 2 45.06 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.9 12.61 2.37 .38 2 22 0.93

Structural Alerts

There are 1 structural alerts for CHEMBL132082. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LCWPWPFSABPKJM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL132082



BindingDB 50118263
PubChem 11045269
PubChem: Thomson Pharma 16110773
SureChEMBL SCHEMBL11822702

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