General Information of the Compound
Compound ID
CP0482870
Compound Name
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[6-(hydroxymethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
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Structure
Formula
C20H17N5O4
Molecular Weight
391.387
Canonical SMILES
OCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc(on2)C2CC2)ncn1
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InChI
InChI=1S/C20H17N5O4/c26-10-14-8-19(22-11-21-14)28-15-3-4-16-13(7-15)5-6-25(16)20(27)23-18-9-17(29-24-18)12-1-2-12/h3-9,11-12,26H,1-2,10H2,(H,23,24,27)
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InChIKey
ROOCWJXYPMHKIB-UHFFFAOYSA-N
Physicochemical Property
logP
3.6615
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
115.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
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: 59394540
ChEMBL ID
CHEMBL4074672
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 = 8.8 nM
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