General Information of the Compound
Compound ID
CP0419647
Compound Name
US9353093, 7
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Structure
Formula
C23H19FN4O2
Molecular Weight
402.429
Canonical SMILES
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cc3ccccc3n2C(N)=O)c1
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InChI
InChI=1S/C23H19FN4O2/c1-14-6-11-18(24)19(12-14)27-23(30)26-17-9-7-15(8-10-17)21-13-16-4-2-3-5-20(16)28(21)22(25)29/h2-13H,1H3,(H2,25,29)(H2,26,27,30)
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InChIKey
HIQVRUAZLKNDKM-UHFFFAOYSA-N
Physicochemical Property
logP
5.32662
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
89.15
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 121254598
ChEMBL ID
CHEMBL3896265
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 = 41 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM