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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65535
CHEMBL65535
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14Cl2N2O2

Additional synonyms for CHEMBL65535 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(O)C(=O)c1ccccc1Nc2c(Cl)ccc(C)c2Cl
Standard InChI InChI=1S/C15H14Cl2N2O2/c1-9-7-8-11(16)14(13(9)17)18-12-6-4-3 ...
Download InChI
Standard InChI Key QQZJBHRGHVYQES-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65535

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
325.2 324.0432 4.51 3 52.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.98 - 4.19 4.18 2 21 0.64

Structural Alerts

There are 5 structural alerts for CHEMBL65535. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QQZJBHRGHVYQES-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65535



BindingDB 50012897
Nikkaji J331.945H
PubChem 19815158
SureChEMBL SCHEMBL9735049
ZINC ZINC000000595869

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