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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL162598
CHEMBL162598
Compound Name DICYCLOHEXYLCARBODIIMIDE
ChEMBL Synonyms Dicyclohexyl-Carbodiimide | Dicyclohexylcarbodiimide
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

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
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 ZINC08585900

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