General Information of the Compound
Compound ID
CP0555121
Compound Name
2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid
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Structure
Formula
C19H14N2O5
Molecular Weight
350.33
Canonical SMILES
OC(=O)c1ccnc(c1)-c1cc(NC(=O)c2ccc(O)cc2)ccc1O
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InChI
InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26)
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InChIKey
MXKVATSZRALAIN-UHFFFAOYSA-N
Physicochemical Property
logP
3.1103
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
119.75
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 135567041
ChEMBL ID
CHEMBL3775262
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 = 45000 nM
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   LI
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