General Information of the Compound
Compound ID
CP0533783
Compound Name
2-[[1-(1,3-benzoxazol-2-ylmethyl)-4-hydroxy-2-oxo-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
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Structure
Formula
C18H15N3O7
Molecular Weight
385.332
Canonical SMILES
OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2nc3ccccc3o2)c1=O
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InChI
InChI=1S/C18H15N3O7/c22-14(23)5-19-17(25)15-16(24)9-7-27-8-11(9)21(18(15)26)6-13-20-10-3-1-2-4-12(10)28-13/h1-4,24H,5-8H2,(H,19,25)(H,22,23)
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InChIKey
AOIAKTDISZJQNS-UHFFFAOYSA-N
Physicochemical Property
logP
0.588
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
143.89
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
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: 118981555
ChEMBL ID
CHEMBL4474474
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 = 4.2 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 = 5 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