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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL64496
CHEMBL64496
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H13ClN2O

Additional synonyms for CHEMBL64496 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1=CC=C2C3CNCC(C3)CN2C1=O
Standard InChI InChI=1S/C11H13ClN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11( ...
Download InChI
Standard InChI Key NBGMTBMAENFSAW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL64496

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
224.7 224.0716 1.21 0 34.03 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.15 .97 -1.62 1 15 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL64496. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NBGMTBMAENFSAW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL64496



BindingDB 50161090
IBM Patent System 91D1C7E6DB8BE2208DC643FCC5865384
PubChem 9815950
PubChem: Thomson Pharma 14773671
SureChEMBL SCHEMBL5685940

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