General Information of the Compound
Compound ID
CP0415311
Compound Name
3-(3-methoxyphenyl)-5-(3-nitrophenyl)-1H-imidazol-2-one
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Structure
Formula
C16H13N3O4
Molecular Weight
311.297
Canonical SMILES
COc1cccc(c1)-n1cc([nH]c1=O)-c1cccc(c1)[N+]([O-])=O
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InChI
InChI=1S/C16H13N3O4/c1-23-14-7-3-5-12(9-14)18-10-15(17-16(18)20)11-4-2-6-13(8-11)19(21)22/h2-10H,1H3,(H,17,20)
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InChIKey
MDGROKONWAYPDR-UHFFFAOYSA-N
Physicochemical Property
logP
2.7494
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
90.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 118735921
ChEMBL ID
CHEMBL3422821
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: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 33900 nM
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