General Information of the Compound
Compound ID
CP0426003
Compound Name
2-[[4-hydroxy-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
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Structure
Formula
C17H13F3N2O6
Molecular Weight
398.293
Canonical SMILES
OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2cc(F)c(F)cc2F)c1=O
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InChI
InChI=1S/C17H13F3N2O6/c18-9-2-11(20)10(19)1-7(9)4-22-12-6-28-5-8(12)15(25)14(17(22)27)16(26)21-3-13(23)24/h1-2,25H,3-6H2,(H,21,26)(H,23,24)
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InChIKey
LGUYPCRXJIHSNZ-UHFFFAOYSA-N
Physicochemical Property
logP
0.8641
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
117.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 118981731
ChEMBL ID
CHEMBL4462741
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: PT02612, Egl nine homolog 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT01988, Prolyl hydroxylase EGLN2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT02885, Prolyl hydroxylase EGLN3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6.6 nM
   TI
   LI
   LO
   TS