N,N-DIETHYL-N'-(P-CHLOROPHENYL)UREA

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Molecule Category Free-form
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 IYKHIHBKAAEUDQ-UHFFFAOYSA-N
Smiles CCN(CC)C(=O)Nc1ccc(Cl)cc1
InChI
InChI=1S/C11H15ClN2O/c1-3-14(4-2)11(15)13-10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3,(H,13,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15ClN2O
Molecular Weight 226.7
AlogP 2.51
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 7.04

Cross References

Resources Reference
ChEMBL CHEMBL2235375
PubChem 302981
SureChEMBL SCHEMBL9435704
ZINC ZINC00284696
CONTENTS