General Information of the Compound
Compound ID
CP0372181
Compound Name
1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea
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Structure
Formula
C13H11BrN2O2
Molecular Weight
307.147
Canonical SMILES
Oc1ccccc1NC(=O)Nc1ccccc1Br
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InChI
InChI=1S/C13H11BrN2O2/c14-9-5-1-2-6-10(9)15-13(18)16-11-7-3-4-8-12(11)17/h1-8,17H,(H2,15,16,18)
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InChIKey
XDJSETLIIYOAOI-UHFFFAOYSA-N
Physicochemical Property
logP
3.7987
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: 21184748
ChEMBL ID
CHEMBL239560
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 > 9000 nM
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