General Information of the Compound
Compound ID
CP0427950
Compound Name
1-(2-hydroxy-6-nitrophenyl)-3-phenylurea
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Structure
Formula
C13H11N3O4
Molecular Weight
273.248
Canonical SMILES
Oc1cccc(c1NC(=O)Nc1ccccc1)[N+]([O-])=O
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InChI
InChI=1S/C13H11N3O4/c17-11-8-4-7-10(16(19)20)12(11)15-13(18)14-9-5-2-1-3-6-9/h1-8,17H,(H2,14,15,18)
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InChIKey
JOOXEMOTDYZIKY-UHFFFAOYSA-N
Physicochemical Property
logP
2.9444
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
104.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 44439700
ChEMBL ID
CHEMBL241679
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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