General Information of the Compound
| Compound ID |
CP0478260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N2OS
|
||||||||||||||||||
| Molecular Weight |
430.617
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N2OS/c30-27(26-12-7-17-31-26)29-19-24(25(20-29)23-10-5-2-6-11-23)18-28-15-13-22(14-16-28)21-8-3-1-4-9-21/h1-12,17,22,24-25H,13-16,18-20H2/t24-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVLFQNKIXDJJFJ-LOSJGSFVSA-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