General Information of the Compound
| Compound ID |
CP0375856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-4-(2,2-dioxo-3-phenyl-2lambda6,1,3-benzothiadiazol-1-yl)-2-methoxy-N-methylbutan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23N3O3S
|
||||||||||||||||||
| Molecular Weight |
361.467
|
||||||||||||||||||
| Canonical SMILES |
CNC[C@@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23N3O3S/c1-19-14-16(24-2)12-13-20-17-10-6-7-11-18(17)21(25(20,22)23)15-8-4-3-5-9-15/h3-11,16,19H,12-14H2,1-2H3/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFTRJEGVGRCFEP-MRXNPFEDSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter