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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL62482
CHEMBL62482
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13ClN2O4

Additional synonyms for CHEMBL62482 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C(=O)CC2(C(=O)N(C)C(=O)c3ccc(Cl)cc23)C1=O
Standard InChI InChI=1S/C15H13ClN2O4/c1-3-18-11(19)7-15(14(18)22)10-6-8(16) ...
Download InChI
Standard InChI Key YQPYTXPQKCSXGT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL62482

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
320.7 320.0564 0.97 1 74.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -2.35 -2.35 1 22 0.57

Structural Alerts

There are 3 structural alerts for CHEMBL62482. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YQPYTXPQKCSXGT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL62482



Nikkaji J598.862D
PubChem 10313961
PubChem: Thomson Pharma 15322887

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