General Information of the Compound
Compound ID
CP0533799
Compound Name
2-[[1-[(4-cyano-2-fluorophenyl)methyl]-4-hydroxy-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonyl]amino]acetic acid
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Structure
Formula
C19H16FN3O6
Molecular Weight
401.35
Canonical SMILES
OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2ccc(cc2F)C#N)c1=O
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InChI
InChI=1S/C19H16FN3O6/c20-13-5-10(6-21)1-2-11(13)8-23-14-3-4-29-9-12(14)17(26)16(19(23)28)18(27)22-7-15(24)25/h1-2,5,26H,3-4,7-9H2,(H,22,27)(H,24,25)
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InChIKey
YJVGISWUWWGULL-UHFFFAOYSA-N
Physicochemical Property
logP
0.50008
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
141.65
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 118978325
ChEMBL ID
CHEMBL4573825
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 = 9 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 = 6.3 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 = 18 nM
   TI
   LI
   LO
   TS