General Information of the Compound
| Compound ID |
CP0876370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(benzo[b]thiophen-3-yl)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N2OS
|
||||||||||||||||||
| Molecular Weight |
418.606
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1csc2ccccc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N2OS/c29-26(17-21-19-30-25-13-5-4-11-23(21)25)28-16-8-12-22(20-9-2-1-3-10-20)24(28)18-27-14-6-7-15-27/h1-5,9-11,13,19,22,24H,6-8,12,14-18H2/t22-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCQVKJCYOWFNKO-VWNXMTODSA-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