General Information of the Compound
| Compound ID |
CP0482932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-N-[[1-(4-benzylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-6-chlorobenzamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34Cl2N4O3S
|
||||||||||||||||||
| Molecular Weight |
541.545
|
||||||||||||||||||
| Canonical SMILES |
Cl.Nc1cccc(Cl)c1C(=O)NCC1(CCCCC1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33ClN4O3S.ClH/c26-21-10-7-11-22(27)23(21)24(31)28-19-25(12-5-2-6-13-25)29-14-16-30(17-15-29)34(32,33)18-20-8-3-1-4-9-20;/h1,3-4,7-11H,2,5-6,12-19,27H2,(H,28,31);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWGADQUJMIALIF-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2