General Information of the Compound
Compound ID
CP0526531
Compound Name
1-(3,3-diphenylpropyl)-3-p-tolylurea
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Structure
Formula
C23H24N2O
Molecular Weight
344.458
Canonical SMILES
Cc1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1
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InChI
InChI=1S/C23H24N2O/c1-18-12-14-21(15-13-18)25-23(26)24-17-16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H2,24,25,26)
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InChIKey
XSEUVUWDJOYAHO-UHFFFAOYSA-N
Physicochemical Property
logP
5.33872
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: 4564558
SID: 163624992
ChEMBL ID
CHEMBL2346773
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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