General Information of the Compound
Compound ID
CP0148616
Compound Name
US11426393, Compound Table XV.6
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Structure
Formula
C16H16N2O4
Molecular Weight
300.314
Canonical SMILES
COC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(C)cc1
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InChI
InChI=1S/C16H16N2O4/c1-10-3-5-11(6-4-10)12-7-13(19)15(17-8-12)16(21)18-9-14(20)22-2/h3-8,19H,9H2,1-2H3,(H,18,21)
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InChIKey
DSAKFJKYBXTHSR-UHFFFAOYSA-N
Physicochemical Property
logP
1.66542
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
88.52
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 24891584
SID: 51084085
ChEMBL ID
CHEMBL3646217
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 = 8200 nM
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