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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1086899
CHEMBL1086899
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H17ClN2O2

Additional synonyms for CHEMBL1086899 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(c1)C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2
Standard InChI InChI=1S/C21H17ClN2O2/c1-14-5-2-6-15(11-14)20(25)23-18-9-4-1 ...
Download InChI
Standard InChI Key KZXMFJORGLUXJN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1086899

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
364.8 364.0979 5.15 4 58.2 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.6 - 3.62 3.62 3 26 0.67

Structural Alerts

There are no structural alerts for CHEMBL1086899

Compound Cross References

ChemSpider ChemSpider:KZXMFJORGLUXJN-UHFFFAOYSA-N
PubChem SID: 104221974

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1086899



BindingDB 50312125
PubChem 46880148
ZINC ZINC000049052313

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