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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1494783
CHEMBL1494783
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H12ClNO4

Additional synonyms for CHEMBL1494783 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccccc1C(=O)Oc2ccc(cc2)N3C(=O)CCC3=O
Standard InChI InChI=1S/C17H12ClNO4/c18-14-4-2-1-3-13(14)17(22)23-12-7-5-11 ...
Download InChI
Standard InChI Key MGQYSJIFRWWIJA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1494783

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
329.7 329.0455 3.21 3 63.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.29 1.29 2 23 0.49

Structural Alerts

There are 4 structural alerts for CHEMBL1494783. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MGQYSJIFRWWIJA-UHFFFAOYSA-N
PubChem SID: 22413085

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1494783



eMolecules 2365766
Mcule MCULE-5601625036
MolPort MolPort-001-022-523
PubChem 795273
ZINC ZINC000000298847

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