encenicline   

GtoPdb Ligand ID: 6926

Synonyms: EVP 6124 | EVP-6124 | EVP6124
Compound class: Synthetic organic
Comment: This compound was developed as part of EnVivo Pharmaceuticals alpha-7 agonist program [3]. The compound exhibits good brain penetration and an adequate exposure time for clinical utility [3].
EnVivo changed its name to FORUM Pharmaceuticals Inc. in April 2014.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 60.58
Molecular weight 320.08
XLogP 2.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1cc2c(s1)c(Cl)ccc2)NC1CN2CCC1CC2
Isomeric SMILES O=C(c1cc2c(s1)c(Cl)ccc2)N[C@H]1CN2CCC1CC2
InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1
InChI Key SSRDSYXGYPJKRR-ZDUSSCGKSA-N
Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel