General Information of the Compound
Compound ID
CP0400617
Compound Name
3-(4-hydroxyphenyl)-6-(4-nitrophenyl)-1,4-dihydropyrimidin-2-one
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Structure
Formula
C16H13N3O4
Molecular Weight
311.297
Canonical SMILES
Oc1ccc(cc1)N1CC=C(NC1=O)c1ccc(cc1)[N+]([O-])=O
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InChI
InChI=1S/C16H13N3O4/c20-14-7-5-12(6-8-14)18-10-9-15(17-16(18)21)11-1-3-13(4-2-11)19(22)23/h1-9,20H,10H2,(H,17,21)
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InChIKey
FSMSZUNLYUQVHH-UHFFFAOYSA-N
Physicochemical Property
logP
2.8711
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
95.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 118735916
ChEMBL ID
CHEMBL3422816
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 = 11400 nM
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