General Information of the Compound
Compound ID
CP0250099
Compound Name
N'-[(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenecarboximidamide
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Structure
Formula
C15H11Cl2F3N2O
Molecular Weight
363.166
Canonical SMILES
NC(=NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1
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InChI
InChI=1S/C15H11Cl2F3N2O/c16-11-5-9(6-12(17)7-11)8-22-14(21)10-1-3-13(4-2-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)
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InChIKey
HCUDNPNQOOAXTQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7975
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
47.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 9928952
SID: 14901515
ChEMBL ID
CHEMBL161180
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 = 0.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 24 nM