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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL66259
CHEMBL66259
Compound Name
ChEMBL Synonyms Benzoimidazole-1-Carboxylic Acid Cyclohexylamide
Max Phase 0
Trade Names
Molecular Formula C14H17N3O

Additional synonyms for CHEMBL66259 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(NC1CCCCC1)n2cnc3ccccc23
Standard InChI InChI=1S/C14H17N3O/c18-14(16-11-6-2-1-3-7-11)17-10-15-12-8-4 ...
Download InChI
Standard InChI Key KZXIRGSSHMRAAI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL66259

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
243.3 243.1372 3.19 1 46.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.56 3.06 2.85 2.85 2 18 0.84

Structural Alerts

There are no structural alerts for CHEMBL66259

Compound Cross References

ChemSpider ChemSpider:KZXIRGSSHMRAAI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL66259



PubChem 44306109
ZINC ZINC000026181862

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