General Information of the Compound
Compound ID
CP0388519
Compound Name
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-propan-2-yloxybenzamide
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Structure
Formula
C19H24N2O3
Molecular Weight
328.412
Canonical SMILES
CC(C)Oc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
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InChI
InChI=1S/C19H24N2O3/c1-11(2)24-17-8-6-7-15(14(17)5)18(22)20-10-16-12(3)9-13(4)21-19(16)23/h6-9,11H,10H2,1-5H3,(H,20,22)(H,21,23)
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InChIKey
SMILMVOWBJECEY-UHFFFAOYSA-N
Physicochemical Property
logP
3.01736
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 89905749
ChEMBL ID
CHEMBL3932025
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)  2
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
2
Kd = 252 nM
   TI
   LI
   LO
   TS