General Information of the Compound
Compound ID
CP0438858
Compound Name
1-(1,2-Diphenyl-ethyl)-3-(3-hydroxy-propyl)-urea
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Structure
Formula
C18H22N2O2
Molecular Weight
298.386
Canonical SMILES
OCCCNC(=O)NC(Cc1ccccc1)c1ccccc1
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InChI
InChI=1S/C18H22N2O2/c21-13-7-12-19-18(22)20-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,17,21H,7,12-14H2,(H2,19,20,22)
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InChIKey
ZLWPRXIKLICWMA-UHFFFAOYSA-N
Physicochemical Property
logP
2.652
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 10979426
SID: 16036836
ChEMBL ID
CHEMBL126106
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: PT01215, C-C chemokine receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 50000 nM
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