General Information of the Compound
Compound ID
CP0520958
Compound Name
5-[(7-acetyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide
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Structure
Formula
C24H22N6O4
Molecular Weight
458.478
Canonical SMILES
CC(=O)N1CCc2c(C1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1
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InChI
InChI=1S/C24H22N6O4/c1-14(31)29-8-7-18-19(12-29)25-13-26-23(18)33-17-4-5-20-16(10-17)6-9-30(20)24(32)27-22-11-21(34-28-22)15-2-3-15/h4-6,9-11,13,15H,2-3,7-8,12H2,1H3,(H,27,28,32)
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InChIKey
ASMFOWOLISPYBP-UHFFFAOYSA-N
Physicochemical Property
logP
4.0738
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
115.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
34

"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: 59394513
ChEMBL ID
CHEMBL4092692
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 = 2.1 nM
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