General Information of the Compound
| Compound ID |
CP0265054
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propane-1-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N2O2S
|
||||||||||||||||||
| Molecular Weight |
358.507
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N2O2S/c1-2-14-25(23,24)22(19-12-13-21-15-19)16-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,19,21H,2,12-16H2,1H3/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYZZRTNQROTLCL-IBGZPJMESA-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