General Information of the Compound
Compound ID
CP0528394
Compound Name
5-methyl-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
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Structure
Formula
C13H19N3O2
Molecular Weight
249.314
Canonical SMILES
Cc1cncc(c1)C(=O)NCCN1CCOCC1
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InChI
InChI=1S/C13H19N3O2/c1-11-8-12(10-14-9-11)13(17)15-2-3-16-4-6-18-7-5-16/h8-10H,2-7H2,1H3,(H,15,17)
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InChIKey
ZKHKRVWLABGKLF-UHFFFAOYSA-N
Physicochemical Property
logP
0.45202
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 57932592
ChEMBL ID
CHEMBL4746479
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: PT03382, Lysine-specific demethylase 5B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS