General Information of the Compound
Compound ID
CP0475328
Compound Name
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(tetrazol-2-ylmethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
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Structure
Formula
C21H17N9O3
Molecular Weight
443.427
Canonical SMILES
O=C(Nc1cc(on1)C1CC1)n1ccc2cc(Oc3cc(Cn4ncnn4)ncn3)ccc12
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InChI
InChI=1S/C21H17N9O3/c31-21(26-19-9-18(33-27-19)13-1-2-13)29-6-5-14-7-16(3-4-17(14)29)32-20-8-15(22-11-23-20)10-30-25-12-24-28-30/h3-9,11-13H,1-2,10H2,(H,26,27,31)
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InChIKey
SOUHYNYJXMGGNP-UHFFFAOYSA-N
Physicochemical Property
logP
3.204
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
138.67
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
11
Complexity
33

"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: 59394672
ChEMBL ID
CHEMBL4102888
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 = 12.8 nM
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