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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL74589
CHEMBL74589
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13ClN2O2

Additional synonyms for CHEMBL74589 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc2[nH]cc(C(=O)C(=O)NCc3ccccc3)c2c1
Standard InChI InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(2 ...
Download InChI
Standard InChI Key BDGWCPYUERFMMY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL74589

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
312.8 312.0666 3.47 4 61.96 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
11.99 - 3.48 3.48 3 22 0.57

Structural Alerts

There are 6 structural alerts for CHEMBL74589. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BDGWCPYUERFMMY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL74589



Nikkaji J630.997F
PubChem 10591254
PubChem: Thomson Pharma 15620271

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