General Information of the Compound
Compound ID
CP0403815
Compound Name
2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid
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Structure
Formula
C14H12N2O4
Molecular Weight
272.26
Canonical SMILES
CC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
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InChI
InChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20)
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InChIKey
KWHVUGFDWSYWJF-UHFFFAOYSA-N
Physicochemical Property
logP
2.1108
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
99.52
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 135567040
ChEMBL ID
CHEMBL3774598
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: PT02613, Lysine-specific demethylase 5A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 240000 nM
   TI
   LI
   LO
   TS