General Information of the Compound
| Compound ID |
CP0161877
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((S)-6-((diethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-4-(2-(tetrahydrothiophen-2-yl)ethyl)piperazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H39N3OS
|
||||||||||||||||||
| Molecular Weight |
429.674
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCC2CCCS2)CC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H39N3OS/c1-3-26(4-2)18-20-7-8-22-17-23(10-9-21(22)16-20)28-14-13-27(19-25(28)29)12-11-24-6-5-15-30-24/h7-8,16,23-24H,3-6,9-15,17-19H2,1-2H3/t23-,24?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDFGTSZHKOFGPM-UXMRNZNESA-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