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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL207277
CHEMBL207277
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H15ClN2O

Additional synonyms for CHEMBL207277 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(CC2=NN(CC=C)C(=O)c3ccccc23)cc1
Standard InChI InChI=1S/C18H15ClN2O/c1-2-11-21-18(22)16-6-4-3-5-15(16)17(20 ...
Download InChI
Standard InChI Key OHEWOPKEAKDVRX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL207277

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
310.8 310.0873 3.83 4 34.89 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.72 3.72 3 22 0.69

Structural Alerts

There are 3 structural alerts for CHEMBL207277. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OHEWOPKEAKDVRX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL207277



BindingDB 50183665
PubChem 15959119

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