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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1573771
CHEMBL1573771
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14ClNO2

Additional synonyms for CHEMBL1573771 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(NC(=O)c2ccc(Cl)cc2)c(C)cc1O
Standard InChI InChI=1S/C15H14ClNO2/c1-9-8-14(18)10(2)7-13(9)17-15(19)11-3- ...
Download InChI
Standard InChI Key ICSPUTXNJIVLKJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1573771

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
275.7 275.0713 3.91 2 49.33 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.46 - 3.64 3.64 2 19 0.82

Structural Alerts

There are 1 structural alerts for CHEMBL1573771. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ICSPUTXNJIVLKJ-UHFFFAOYSA-N
PubChem SID: 24793423

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1573771



eMolecules 2304163
Mcule MCULE-1060880376
MolPort MolPort-000-516-375
PubChem 885350
ZINC ZINC000000457548

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