General Information of the Compound
Compound ID
CP0080607
Compound Name
N'-benzyl-4-(trifluoromethyl)benzenecarboximidamide
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Structure
Formula
C15H13F3N2
Molecular Weight
278.277
Canonical SMILES
NC(=NCc1ccccc1)c1ccc(cc1)C(F)(F)F
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InChI
InChI=1S/C15H13F3N2/c16-15(17,18)13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20)
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InChIKey
AGNLIGOLIXPXKY-UHFFFAOYSA-N
Physicochemical Property
logP
3.6109
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
38.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 44374892
ChEMBL ID
CHEMBL159530
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: PT02751, Glutamate receptor ionotropic, NMDA 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
Ki = 480 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 360 nM