General Information of the Compound
| Compound ID |
CP0070613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(cyclopentylmethyl)-2-isopropyl-N-(pyrrolidin-3-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30N2O
|
||||||||||||||||||
| Molecular Weight |
314.473
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30N2O/c1-15(2)18-9-5-6-10-19(18)20(23)22(17-11-12-21-13-17)14-16-7-3-4-8-16/h5-6,9-10,15-17,21H,3-4,7-8,11-14H2,1-2H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGTRDYXFZBKEJR-KRWDZBQOSA-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