General Information of the Compound
Compound ID
CP0469245
Compound Name
2-hydroxy-N,N-dimethyl-3-[(5-oxo-4-phenyl-1,4-dihydroimidazol-2-yl)amino]benzamide
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Formula
C18H18N4O3
Molecular Weight
338.367
Canonical SMILES
CN(C)C(=O)c1cccc(NC2=NC(=O)C(N2)c2ccccc2)c1O
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InChI
InChI=1S/C18H18N4O3/c1-22(2)17(25)12-9-6-10-13(15(12)23)19-18-20-14(16(24)21-18)11-7-4-3-5-8-11/h3-10,14,23H,1-2H3,(H2,19,20,21,24)
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InChIKey
AWMJVRZOVOHMLU-UHFFFAOYSA-N
Physicochemical Property
logP
1.733
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
94.03
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
25

"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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ChEMBL ID
CHEMBL4781979
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: PT01304, C-X-C chemokine receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01013, C-X-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS