1,3-DICYCLOHEXYLUREA

/static/temp/default.svg Search structure
Molecule Category Free-form
UNII ZV7823VVIM
EPA CompTox DTXSID3062366
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ADFXKUOMJKEIND-UHFFFAOYSA-N
Smiles O=C(NC1CCCCC1)NC2CCCCC2
InChI
InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H24N2O
Molecular Weight 224.34
AlogP 3.09
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 41.13
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family
- 160 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 160 - - -

Cross References

Resources Reference
CAS NUMBER 2387-23-7
ChEMBL CHEMBL1458
FDA SRS ZV7823VVIM
PDB DCW
PubChem 4277
SureChEMBL SCHEMBL2755
ZINC ZINC00157375
CONTENTS