General Information of the Compound
Compound ID
CP0144488
Compound Name
1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethyl)phenyl)-1H-tetrazole-5-carboxamide
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Structure
Formula
C16H13F3N6O
Molecular Weight
362.315
Canonical SMILES
FC(F)(F)c1ccc(NC(=O)c2nnnn2CCc2ccncc2)cc1
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InChI
InChI=1S/C16H13F3N6O/c17-16(18,19)12-1-3-13(4-2-12)21-15(26)14-22-23-24-25(14)10-7-11-5-8-20-9-6-11/h1-6,8-9H,7,10H2,(H,21,26)
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InChIKey
ZASYBODFQONKMD-UHFFFAOYSA-N
Physicochemical Property
logP
2.5819
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
85.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 44431936
ChEMBL ID
CHEMBL234205
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 = 2960 nM
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