General Information of the Compound
| Compound ID |
CP0922043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)-2-(thiophen-3-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N2OS
|
||||||||||||||||||
| Molecular Weight |
368.546
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccsc1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N2OS/c25-22(15-18-10-14-26-17-18)24-13-6-9-20(19-7-2-1-3-8-19)21(24)16-23-11-4-5-12-23/h1-3,7-8,10,14,17,20-21H,4-6,9,11-13,15-16H2/t20-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORGKYRFUODIKPL-RTWAWAEBSA-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