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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL162598
CHEMBL162598
Compound Name DICYCLOHEXYLCARBODIIMIDE
ChEMBL Synonyms Dicyclohexylcarbodiimide | Dicyclohexyl-Carbodiimide
Max Phase 0
Trade Names
Molecular Formula C13H22N2

Additional synonyms for CHEMBL162598 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCC(CC1)N=C=NC2CCCCC2
Standard InChI InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/ ...
Download InChI
Standard InChI Key QOSSAOTZNIDXMA-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL162598

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
206.3 206.1783 4.09 2 24.72 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.57 5.57 0 15 0.64

Structural Alerts

There are 7 structural alerts for CHEMBL162598. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QOSSAOTZNIDXMA-UHFFFAOYSA-N
PubChem SID: 144210198 SID: 144213554 SID: 17389467 SID: 26753030
Wikipedia N,N%27-Dicyclohexylcarbodiimide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL162598



ACToR 538-75-0
BindingDB 129231
Brenda 2554 8144 105917 169877 103875 94113 123176 174649 62315 63182 99727 1366
ChEBI 53090
eMolecules 501464
EPA CompTox Dashboard DTXSID1023817
FDA SRS 0T1427205E
IBM Patent System B2AEF15BF7229D9C69B8D20086C04675
Mcule MCULE-5242025177
MolPort MolPort-000-154-198
Nikkaji J6.377K
NMRShiftDB 10009093
PubChem 10868
PubChem: Thomson Pharma 15171832
SureChEMBL SCHEMBL303
ZINC ZINC000008585900

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