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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1458
CHEMBL1458
Compound Name 1,3-DICYCLOHEXYLUREA
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H24N2O

Additional synonyms for CHEMBL1458 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(NC1CCCCC1)NC2CCCCC2
Standard InChI InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-1 ...
Download InChI
Standard InChI Key ADFXKUOMJKEIND-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1458

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
224.4 224.1889 2.95 2 41.13 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.89 - 3.29 3.29 0 16 0.74

Structural Alerts

There are no structural alerts for CHEMBL1458

Compound Cross References

ChemSpider ChemSpider:ADFXKUOMJKEIND-UHFFFAOYSA-N
PubChem SID: 26750000
Wikipedia Dicyclohexylurea

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1458



ACToR 2387-23-7
BindingDB 25731
Brenda 23104 151353 13797 159706 188244 13672
ChEBI 93429
eMolecules 537654
EPA CompTox Dashboard DTXSID3062366
FDA SRS ZV7823VVIM
IBM Patent System 95DE40624E5958CFEAAB4311C819591F 1A59BCB5712461E6DD98C5F920A22424
LINCS LSM-3829
Mcule MCULE-7650056216
MolPort MolPort-001-018-066
Nikkaji J80.467C
PDBe DCW
PubChem 4277
PubChem: Thomson Pharma 15220524
SureChEMBL SCHEMBL2755
ZINC ZINC000000157375

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