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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL433287
CHEMBL433287
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14Cl2N2O2

Additional synonyms for CHEMBL433287 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CONC(=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 ZKPFBHQYHSRHPJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL433287

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 4.34 4 50.36 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
- - 3.62 3.62 2 21 0.82

Structural Alerts

There are 4 structural alerts for CHEMBL433287. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZKPFBHQYHSRHPJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL433287



BindingDB 50012888
IBM Patent System 2650A0490B2856013B0F32A3C5C04BF7
Nikkaji J331.943A
PubChem 19815165
SureChEMBL SCHEMBL9734451
ZINC ZINC000000595868

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