General Information of the Compound
Compound ID
CP0444704
Compound Name
1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea
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Structure
Formula
C24H26N2O
Molecular Weight
358.485
Canonical SMILES
C[C@@H](NC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H26N2O/c1-19(20-11-5-2-6-12-20)26-24(27)25-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H2,25,26,27)/t19-/m1/s1
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InChIKey
CAZBDURCPDIMPA-LJQANCHMSA-N
Physicochemical Property
logP
5.269
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
27

"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: 67404227
SID: 163625109
ChEMBL ID
CHEMBL2346666
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 = 6000 nM
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