General Information of the Compound
Compound ID
CP0420159
Compound Name
N'-benzyl-4-methylsulfonylbenzenecarboximidamide
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Structure
Formula
C15H16N2O2S
Molecular Weight
288.372
Canonical SMILES
CS(=O)(=O)c1ccc(cc1)C(N)=NCc1ccccc1
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InChI
InChI=1S/C15H16N2O2S/c1-20(18,19)14-9-7-13(8-10-14)15(16)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,16,17)
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InChIKey
RWALYVZZSHQRJP-UHFFFAOYSA-N
Physicochemical Property
logP
1.9956
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
72.52
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 44374891
ChEMBL ID
CHEMBL159847
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 = 3500 nM
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