General Information of the Compound
| Compound ID |
CP0503537
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20ClFN2O
|
||||||||||||||||||
| Molecular Weight |
298.789
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N(Cc1ccc(F)cc1Cl)[C@H]1CCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20ClFN2O/c1-10(2)15(20)19(13-5-6-18-8-13)9-11-3-4-12(17)7-14(11)16/h3-4,7,10,13,18H,5-6,8-9H2,1-2H3/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRGCYAJUEHMWAR-ZDUSSCGKSA-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