General Information of the Compound
| Compound ID |
CP0446396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(3-methoxybenzyl)pyrrolidin-3-yl)-4-(thiophen-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N2O2S
|
||||||||||||||||||
| Molecular Weight |
392.524
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CN2CC[C@@H](C2)NC(=O)c2ccc(cc2)-c2cccs2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N2O2S/c1-27-21-5-2-4-17(14-21)15-25-12-11-20(16-25)24-23(26)19-9-7-18(8-10-19)22-6-3-13-28-22/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,24,26)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIYMLKKXWWZEQT-FQEVSTJZSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01161, D(4) dopamine receptor