General Information of the Compound
Compound ID
CP0428353
Compound Name
2-[2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]pyridine-4-carboxylic acid
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Structure
Formula
C17H13N3O5
Molecular Weight
339.307
Canonical SMILES
Cc1cc(no1)C(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
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InChI
InChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24)
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InChIKey
SXVDKQLIPBWXCB-UHFFFAOYSA-N
Physicochemical Property
logP
2.70112
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
125.55
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 135567038
ChEMBL ID
CHEMBL3775867
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 = 23000 nM
   TI
   LI
   LO
   TS