TCN-213   Click here for help

GtoPdb Ligand ID: 11700

Synonyms: TCN 213 | TCN213
Compound class: Synthetic organic
Comment: TCN-213 is a GluN2A-selective, glycine-dependent NMDA receptor allosteric inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 120.45
Molecular weight 376.14
XLogP 4.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(CSc1nnc(s1)NCc1ccccc1)NCC1CCCCC1
Isomeric SMILES C1CCC(CC1)CNC(=O)CSc1nnc(s1)NCc1ccccc1
InChI InChI=1S/C18H24N4OS2/c23-16(19-11-14-7-3-1-4-8-14)13-24-18-22-21-17(25-18)20-12-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,19,23)(H,20,21)
InChI Key XBAZPYFIYYCZBO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)acetamide
Synonyms Click here for help
TCN 213 | TCN213
Database Links Click here for help
GtoPdb PubChem SID 442878726
PubChem CID 2608149
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