General Information of the Compound
Compound ID
CP0464798
Compound Name
1-(3-cyano-2-hydroxyphenyl)-3-phenylurea
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Synonyms
1-(3-cyano-2-hydroxyphenyl)-3-phenylurea
CHEMBL239558
SCHEMBL7488503
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Structure
Formula
C14H11N3O2
Molecular Weight
253.261
Canonical SMILES
Oc1c(NC(=O)Nc2ccccc2)cccc1C#N
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InChI
InChI=1S/C14H11N3O2/c15-9-10-5-4-8-12(13(10)18)17-14(19)16-11-6-2-1-3-7-11/h1-8,18H,(H2,16,17,19)
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InChIKey
JFGPRCHQZYGZRH-UHFFFAOYSA-N
Physicochemical Property
logP
2.90788
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
85.15
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 44439692
ChEMBL ID
CHEMBL239558
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 = 276 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(3-cyano-2-hydroxyphenyl)-3-phenylurea )
Drug Name 1-(3-cyano-2-hydroxyphenyl)-3-phenylurea
Target(s)
C-X-C chemokine receptor type 2 (CXCR2)
Inhibitor