General Information of the Compound
| Compound ID |
CP0102695
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(cyclopentylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23F3N2O
|
||||||||||||||||||
| Molecular Weight |
340.389
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23F3N2O/c19-18(20,21)16-8-4-3-7-15(16)17(24)23(14-9-10-22-11-14)12-13-5-1-2-6-13/h3-4,7-8,13-14,22H,1-2,5-6,9-12H2/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXFURHRZZPXAMP-AWEZNQCLSA-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