General Information of the Compound
| Compound ID |
CP0161878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(6-((4-acetylpiperazin-1-yl)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-4-(4-fluorophenethyl)piperazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37FN4O2
|
||||||||||||||||||
| Molecular Weight |
492.639
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCN(Cc2ccc3C[C@H](CCc3c2)N2CCN(CCc3ccc(F)cc3)CC2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37FN4O2/c1-22(35)33-15-12-32(13-16-33)20-24-2-5-26-19-28(9-6-25(26)18-24)34-17-14-31(21-29(34)36)11-10-23-3-7-27(30)8-4-23/h2-5,7-8,18,28H,6,9-17,19-21H2,1H3/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMCXKYFBYKWNPT-NDEPHWFRSA-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