General Information of the Compound
Compound ID
CP0444703
Compound Name
1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
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Structure
Formula
C32H35N3O3
Molecular Weight
509.65
Canonical SMILES
O=C(Nc1cccc(c1)-c1ccco1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
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InChI
InChI=1S/C32H35N3O3/c36-32(33-29-14-7-13-28(25-29)31-15-8-22-38-31)35(19-18-34-20-23-37-24-21-34)17-16-30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-15,22,25,30H,16-21,23-24H2,(H,33,36)
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InChIKey
CGHGDHYCILCDMZ-UHFFFAOYSA-N
Physicochemical Property
logP
6.3349
Rotatable Bonds
10
Heavy Atom Count
38
Polar Areas
57.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
38

"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: 16735045
SID: 26693201
ChEMBL ID
CHEMBL2349602
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 = 150 nM
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