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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1509813
CHEMBL1509813
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H17ClN2O2

Additional synonyms for CHEMBL1509813 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(NC(=O)CNC(=O)c1cccc(Cl)c1)c2ccccc2
Standard InChI InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-1 ...
Download InChI
Standard InChI Key MWDVCHRYCKXEBY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1509813

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
316.8 316.0979 2.72 5 58.2 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
12.77 - 2.92 2.92 2 22 0.89

Structural Alerts

There are 2 structural alerts for CHEMBL1509813. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MWDVCHRYCKXEBY-UHFFFAOYSA-N
PubChem SID: 49673499

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1509813



eMolecules 3337032
Mcule MCULE-2028600628
MolPort MolPort-003-299-319
PubChem 4879329

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