General Information of the Compound
Compound ID
CP0144485
Compound Name
1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-imidazole-2-carboxamide
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Structure
Formula
C18H15F3N4O2
Molecular Weight
376.338
Canonical SMILES
FC(F)(F)Oc1ccc(NC(=O)c2nccn2CCc2ccncc2)cc1
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InChI
InChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-14(2-4-15)24-17(26)16-23-10-12-25(16)11-7-13-5-8-22-9-6-13/h1-6,8-10,12H,7,11H2,(H,24,26)
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InChIKey
GZHVVLBJMXPWOL-UHFFFAOYSA-N
Physicochemical Property
logP
3.6717
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
69.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 44431922
ChEMBL ID
CHEMBL391104
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 = 1050 nM
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