General Information of the Compound
| Compound ID |
CP0167541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(cyclobutylmethyl)-2-methyl-N-(pyrrolidin-3-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24N2O
|
||||||||||||||||||
| Molecular Weight |
272.392
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24N2O/c1-13-5-2-3-8-16(13)17(20)19(12-14-6-4-7-14)15-9-10-18-11-15/h2-3,5,8,14-15,18H,4,6-7,9-12H2,1H3/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKMZTVMDWMICAE-HNNXBMFYSA-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