General Information of the Compound
| Compound ID |
CP0494415
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-methoxyphenyl)-1-[2-[(2R)-morpholin-2-yl]ethyl]-2lambda6,1,3-benzothiadiazole 2,2-dioxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23N3O4S
|
||||||||||||||||||
| Molecular Weight |
389.477
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23N3O4S/c1-25-16-6-4-5-15(13-16)22-19-8-3-2-7-18(19)21(27(22,23)24)11-9-17-14-20-10-12-26-17/h2-8,13,17,20H,9-12,14H2,1H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XPDPSRJQWMZUMS-QGZVFWFLSA-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