General Information of the Compound
Compound ID
CP0517636
Compound Name
2-[[4-hydroxy-2-oxo-1-[(1-phenylpyrazol-3-yl)methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
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Structure
Formula
C20H18N4O6
Molecular Weight
410.386
Canonical SMILES
OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccn(n2)-c2ccccc2)c1=O
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InChI
InChI=1S/C20H18N4O6/c25-16(26)8-21-19(28)17-18(27)14-10-30-11-15(14)23(20(17)29)9-12-6-7-24(22-12)13-4-2-1-3-5-13/h1-7,27H,8-11H2,(H,21,28)(H,25,26)
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InChIKey
PJUTZCGTXMXRLP-UHFFFAOYSA-N
Physicochemical Property
logP
0.6325
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
135.68
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 121245332
ChEMBL ID
CHEMBL4476576
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 = 3.8 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 = 3.2 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 = 6 nM
   TI
   LI
   LO
   TS