General Information of the Compound
Compound ID
CP0521144
Compound Name
2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
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Structure
Formula
C17H15ClN2O6
Molecular Weight
378.768
Canonical SMILES
OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(Cl)cc2)c1=O
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InChI
InChI=1S/C17H15ClN2O6/c18-10-3-1-9(2-4-10)6-20-12-8-26-7-11(12)15(23)14(17(20)25)16(24)19-5-13(21)22/h1-4,23H,5-8H2,(H,19,24)(H,21,22)
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InChIKey
PCDFCOIOMBPLOA-UHFFFAOYSA-N
Physicochemical Property
logP
1.1002
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
117.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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: 71133989
ChEMBL ID
CHEMBL4462855
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 = 2.3 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 = 2.1 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 = 6.4 nM
   TI
   LI
   LO
   TS