General Information of the Compound
Compound ID
CP0516992
Compound Name
1-(4-chlorophenyl)-3-(3,3-diphenylpropyl)urea
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Structure
Formula
C22H21ClN2O
Molecular Weight
364.876
Canonical SMILES
Clc1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1
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InChI
InChI=1S/C22H21ClN2O/c23-19-11-13-20(14-12-19)25-22(26)24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H2,24,25,26)
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InChIKey
FVVUFTXFMCPUAO-UHFFFAOYSA-N
Physicochemical Property
logP
5.6837
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
26

"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: 3431830
SID: 163624989
ChEMBL ID
CHEMBL2346769
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: PT01916, Extracellular calcium-sensing receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4000 nM
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