General Information of the Compound
Compound ID
CP0422586
Compound Name
1-(4-chlorophenyl)-3-[(1S,2R)-2-phenylcyclopropyl]urea
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Structure
Formula
C16H15ClN2O
Molecular Weight
286.762
Canonical SMILES
Clc1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1
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InChI
InChI=1S/C16H15ClN2O/c17-12-6-8-13(9-7-12)18-16(20)19-15-10-14(15)11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,18,19,20)/t14-,15+/m1/s1
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InChIKey
FPVGSKXEQWTCIY-CABCVRRESA-N
Physicochemical Property
logP
4.0176
Rotatable Bonds
3
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: 155516835
ChEMBL ID
CHEMBL4443540
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 = 1220 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS