General Information of the Compound
| Compound ID |
CP0377202
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N3O2S
|
||||||||||||||||||
| Molecular Weight |
395.528
|
||||||||||||||||||
| Canonical SMILES |
CN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3O2S/c1-23-12-14-25(15-13-23)21-9-5-8-20(17-21)24(2)28(26,27)22-11-10-18-6-3-4-7-19(18)16-22/h3-11,16-17H,12-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMJBTCPPCWVRKS-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor