General Information of the Compound
Compound ID
CP0199997
Compound Name
US11426393, Compound Table XV.14
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Structure
Formula
C14H11FN2O4
Molecular Weight
290.25
Canonical SMILES
OC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(F)cc1
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InChI
InChI=1S/C14H11FN2O4/c15-10-3-1-8(2-4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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InChIKey
XTAXWQIDORMKHA-UHFFFAOYSA-N
Physicochemical Property
logP
1.4077
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
99.52
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 24891687
SID: 51084190
ChEMBL ID
CHEMBL3646224
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: PT03142, Vascular endothelial growth factor A, long form
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS