CNS-5161

Chemical Information
CNS 5161 is a blocker of the NMDA ion channel and has completed Phase IIa proof of concept clinical trials as a novel compound for the treatment of neuropathic pain.
| CAS Number | 160754-76-7 |
| PubChem CID | 192711 |
| IUPAC Name | 2-(2-chloro-5-methylsulfanylphenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine |
| Molecular Formula | C16H18ClN3S2 |
| Molecular Weight | 351.9 |
| XLogP | 4.2 |
| Topological Polar Surface Area | 92.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 380 |
| Property | Value |
|---|---|
| Molecular Weight | 351.9 |
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 351.0630676 |
| Monoisotopic Mass | 351.0630676 |
| Topological Polar Surface Area | 92.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 380 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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