General Information of the Compound
Compound ID
CP0382869
Compound Name
3-[3-(dimethylamino)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
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Structure
Formula
C30H38N4O2
Molecular Weight
486.66
Canonical SMILES
CN(C)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
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InChI
InChI=1S/C30H38N4O2/c1-32(2)28-15-9-14-27(24-28)31-30(35)34(19-18-33-20-22-36-23-21-33)17-16-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,24,29H,16-23H2,1-2H3,(H,31,35)
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InChIKey
GTPZZWVVIWMTIK-UHFFFAOYSA-N
Physicochemical Property
logP
5.1409
Rotatable Bonds
10
Heavy Atom Count
36
Polar Areas
48.05
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: 16737501
SID: 26695731
ChEMBL ID
CHEMBL2349599
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 = 300 nM
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