General Information of the Compound
Compound ID
CP0154799
Compound Name
N-(2-fluoro-4-methylphenyl)-5-[3-methyl-5-(pyridin-4-ylmethylamino)imidazol-4-yl]-1,3,4-oxadiazol-2-amine
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Structure
Formula
C19H18FN7O
Molecular Weight
379.399
Canonical SMILES
Cc1ccc(Nc2nnc(o2)-c2c(NCc3ccncc3)ncn2C)c(F)c1
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InChI
InChI=1S/C19H18FN7O/c1-12-3-4-15(14(20)9-12)24-19-26-25-18(28-19)16-17(23-11-27(16)2)22-10-13-5-7-21-8-6-13/h3-9,11,22H,10H2,1-2H3,(H,24,26)
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InChIKey
UBOJVWAIWFGKDG-UHFFFAOYSA-N
Physicochemical Property
logP
3.66832
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
93.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
28

"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: 44408923
ChEMBL ID
CHEMBL379908
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 640 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 260 nM