General Information of the Compound
| Compound ID |
CP0540648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,4-dichloro-N-[[1-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32Cl3N3O3S
|
||||||||||||||||||
| Molecular Weight |
524.942
|
||||||||||||||||||
| Canonical SMILES |
Cl.Clc1ccc(C(=O)NCC2(CCCCC2)N2CCN(CC2)S(=O)(=O)CC2CC2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31Cl2N3O3S.ClH/c23-18-6-7-19(20(24)14-18)21(28)25-16-22(8-2-1-3-9-22)26-10-12-27(13-11-26)31(29,30)15-17-4-5-17;/h6-7,14,17H,1-5,8-13,15-16H2,(H,25,28);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
DYLCDLWXEMQXHJ-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