General Information of the Compound
Compound ID
CP0369799
Compound Name
US11426393, Compound Table XV.23
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Structure
Formula
C19H19N3O5
Molecular Weight
369.377
Canonical SMILES
OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C(=O)N1CCCC1
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InChI
InChI=1S/C19H19N3O5/c23-15-9-14(10-20-17(15)18(26)21-11-16(24)25)12-4-3-5-13(8-12)19(27)22-6-1-2-7-22/h3-5,8-10,23H,1-2,6-7,11H2,(H,21,26)(H,24,25)
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InChIKey
FPDULEQZUNAQKE-UHFFFAOYSA-N
Physicochemical Property
logP
1.5046
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
119.83
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 24890988
SID: 51083473
ChEMBL ID
CHEMBL3646233
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
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