General Information of the Compound
Compound ID
CP0492049
Compound Name
2-[[4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonyl]amino]acetic acid
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Structure
Formula
C19H17F3N2O6
Molecular Weight
426.347
Canonical SMILES
OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2ccc(cc2)C(F)(F)F)c1=O
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InChI
InChI=1S/C19H17F3N2O6/c20-19(21,22)11-3-1-10(2-4-11)8-24-13-5-6-30-9-12(13)16(27)15(18(24)29)17(28)23-7-14(25)26/h1-4,27H,5-9H2,(H,23,28)(H,25,26)
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InChIKey
PUTVOWKAUWWLEW-UHFFFAOYSA-N
Physicochemical Property
logP
1.5081
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
117.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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: 118978339
ChEMBL ID
CHEMBL4582939
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 = 19 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 = 14 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 = 51 nM
   TI
   LI
   LO
   TS