General Information of the Compound
Compound ID
CP0065278
Compound Name
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
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Structure
Formula
C23H24N6O3
Molecular Weight
432.484
Canonical SMILES
CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)no1
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InChI
InChI=1S/C23H24N6O3/c1-23(2,3)19-11-20(28-32-19)27-22(30)29-9-7-14-10-15(4-5-18(14)29)31-21-16-6-8-24-12-17(16)25-13-26-21/h4-5,7,9-11,13,24H,6,8,12H2,1-3H3,(H,27,28,30)
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InChIKey
SBFPCZNJFKYNLE-UHFFFAOYSA-N
Physicochemical Property
logP
4.235
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
107.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
32

"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: 59394005
ChEMBL ID
CHEMBL3746226
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
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 40 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 30 nM