General Information of the Compound
Compound ID
CP0420619
Compound Name
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-hydroxy-3-methoxybenzamide
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Structure
Formula
C16H18N2O4
Molecular Weight
302.33
Canonical SMILES
COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1O
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InChI
InChI=1S/C16H18N2O4/c1-9-7-10(2)18-16(21)12(9)8-17-15(20)11-5-4-6-13(22-3)14(11)19/h4-7,19H,8H2,1-3H3,(H,17,20)(H,18,21)
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InChIKey
FCPIQDRESOSKGA-UHFFFAOYSA-N
Physicochemical Property
logP
1.63594
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
91.42
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 134152472
ChEMBL ID
CHEMBL3975884
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: PT03003, Histone-lysine N-methyltransferase EZH2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 44000 nM
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