General Information of the Compound
Compound ID
CP0578263
Compound Name
1-(4-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
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Structure
Formula
C15H14Cl2N2O
Molecular Weight
309.196
Canonical SMILES
Clc1ccc(NC(=O)NCCc2ccccc2Cl)cc1
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InChI
InChI=1S/C15H14Cl2N2O/c16-12-5-7-13(8-6-12)19-15(20)18-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H2,18,19,20)
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InChIKey
ITUBGFFNXBXGLI-UHFFFAOYSA-N
Physicochemical Property
logP
4.3576
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 47455276
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000076 CHO/Galpha16 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 229.09 nM
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