General Information of the Compound
Compound ID
CP0565509
Compound Name
1-(5-chloro-2-hydroxy-4-nitrophenyl)-3-phenylurea
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Synonyms
1-(5-chloro-2-hydroxy-4-nitrophenyl)-3-phenylurea
117745-34-3
3-(5-chloro-2-hydroxy-4-nitrophenyl)-1-phenylurea
AC1MXJKZ
ACMC-20mnej
AKOS024384929
BDBM50203018
CHEMBL430376
CTK0G0114
DTXSID10396461
MCULE-2402836101
MolPort-001-764-839
SCHEMBL4241814
ST51035461
Urea, N-(5-chloro-2-hydroxy-4-nitrophenyl)-N'-phenyl-
ZINC3917497
ZX-AT026392
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Structure
Formula
C13H10ClN3O4
Molecular Weight
307.693
Canonical SMILES
Oc1cc(c(Cl)cc1NC(=O)Nc1ccccc1)[N+]([O-])=O
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InChI
InChI=1S/C13H10ClN3O4/c14-9-6-10(12(18)7-11(9)17(20)21)16-13(19)15-8-4-2-1-3-5-8/h1-7,18H,(H2,15,16,19)
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InChIKey
ASMCVDDUQQZBFK-UHFFFAOYSA-N
Physicochemical Property
logP
3.5978
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
104.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 3791448
SID: 14776437
ChEMBL ID
CHEMBL430376
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 = 950 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(5-chloro-2-hydroxy-4-nitrophenyl)-3-phenylurea )
Drug Name 1-(5-chloro-2-hydroxy-4-nitrophenyl)-3-phenylurea
Target(s)
C-X-C chemokine receptor type 2 (CXCR2)
Inhibitor