General Information of the Compound
Compound ID
CP0524680
Compound Name
3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
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Structure
Formula
C30H35N3O3
Molecular Weight
485.628
Canonical SMILES
CC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
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InChI
InChI=1S/C30H35N3O3/c1-24(34)27-13-8-14-28(23-27)31-30(35)33(18-17-32-19-21-36-22-20-32)16-15-29(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-14,23,29H,15-22H2,1H3,(H,31,35)
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InChIKey
CZJVPPRBHOKDQH-UHFFFAOYSA-N
Physicochemical Property
logP
5.2775
Rotatable Bonds
10
Heavy Atom Count
36
Polar Areas
61.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
36

"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: 16737826
SID: 26696049
ChEMBL ID
CHEMBL2349587
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 = 550 nM
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