General Information of the Compound
| Compound ID |
CP0285511
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-chloro-2-methylphenoxy)-3-(methylaminomethyl)phenyl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
354.859
|
||||||||||||||||||
| Canonical SMILES |
CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19ClN2O3S/c1-11-8-13(17)4-6-15(11)22-16-7-5-14(19-23(3,20)21)9-12(16)10-18-2/h4-9,18-19H,10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTOHKBIOUPYUFZ-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter