General Information of the Compound
Compound ID
CP0063609
Compound Name
US9353093, 3
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Structure
Formula
C23H20N4O2
Molecular Weight
384.439
Canonical SMILES
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cc3ccccc3n2C(N)=O)c1
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InChI
InChI=1S/C23H20N4O2/c1-15-5-4-7-19(13-15)26-23(29)25-18-11-9-16(10-12-18)21-14-17-6-2-3-8-20(17)27(21)22(24)28/h2-14H,1H3,(H2,24,28)(H2,25,26,29)
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InChIKey
ZLUSJKSRLQNGJZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.18752
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
89.15
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 121254614
ChEMBL ID
CHEMBL3944202
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: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000749 HUVEC-C Homo sapiens (Human)  1
1
IC50 = 17 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM