ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL77767
CHEMBL77767
Compound Name
ChEMBL Synonyms Cyclohexyl Biphenyl-3-Ylcarbamate
Max Phase 0
Trade Names
Molecular Formula C19H21NO2

Additional synonyms for CHEMBL77767 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(Nc1cccc(c1)c2ccccc2)OC3CCCCC3
Standard InChI InChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10 ...
Download InChI
Standard InChI Key HHVUFQYJOSFTEH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL77767

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
295.4 295.1572 4.97 4 38.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.63 .06 5.24 5.24 2 22 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL77767. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HHVUFQYJOSFTEH-UHFFFAOYSA-N
Wikipedia URB602

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL77767



BindingDB 50128581
Brenda 138714 40350 138715 138713 18391
eMolecules 1935695
EPA CompTox Dashboard DTXSID90450611
FDA SRS B8371SFA9K
IBM Patent System 995465E4538929D730AF16D6B9F1805D
MolPort MolPort-003-850-812
Nikkaji J2.229.172F
PubChem 10979337
PubChem: Thomson Pharma 16036736
SureChEMBL SCHEMBL4274165
ZINC ZINC000013520725

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