General Information of the Compound
Compound ID
CP0526489
Compound Name
1-(2-hydroxy-5-methylphenyl)-3-phenylurea
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Structure
Formula
C14H14N2O2
Molecular Weight
242.278
Canonical SMILES
Cc1ccc(O)c(NC(=O)Nc2ccccc2)c1
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InChI
InChI=1S/C14H14N2O2/c1-10-7-8-13(17)12(9-10)16-14(18)15-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16,18)
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InChIKey
DINVTANMWPOOQQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.34462
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 4130676
ChEMBL ID
CHEMBL241677
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: PT01013, C-X-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
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