General Information of the Compound
Compound ID
CP0434449
Compound Name
2-[[1-[(2,4-difluorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
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Structure
Formula
C17H14F2N2O6
Molecular Weight
380.303
Canonical SMILES
OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(F)cc2F)c1=O
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InChI
InChI=1S/C17H14F2N2O6/c18-9-2-1-8(11(19)3-9)5-21-12-7-27-6-10(12)15(24)14(17(21)26)16(25)20-4-13(22)23/h1-3,24H,4-7H2,(H,20,25)(H,22,23)
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InChIKey
DWOPGWHMZNCHQB-UHFFFAOYSA-N
Physicochemical Property
logP
0.725
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
117.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 118981498
ChEMBL ID
CHEMBL4529447
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 = 2.6 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 = 2.2 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 = 8.8 nM
   TI
   LI
   LO
   TS