General Information of the Compound
Compound ID
CP0441230
Compound Name
2-[6-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidin-3-yl]benzamide
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Structure
Formula
C17H14N4O4
Molecular Weight
338.323
Canonical SMILES
NC(=O)c1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
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InChI
InChI=1S/C17H14N4O4/c18-16(22)13-6-1-2-7-15(13)20-9-8-14(19-17(20)23)11-4-3-5-12(10-11)21(24)25/h1-8,10H,9H2,(H2,18,22)(H,19,23)
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InChIKey
JIOCCGAXFKHUJF-UHFFFAOYSA-N
Physicochemical Property
logP
2.2644
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
118.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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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PubChem ID
CID: 118735902
ChEMBL ID
CHEMBL3422802
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)  2
1
EC50 = 15400 nM
   TI
   LI
   LO
   TS
2
IC50 = 8300 nM
   TI
   LI
   LO
   TS