General Information of the Compound
| Compound ID |
CP0502411
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2-Amino-3-methyl-phenyl)-[4-(4-isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H39N3OS
|
||||||||||||||||||
| Molecular Weight |
465.707
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(C)c2N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H39N3OS/c1-20(2)33-25-9-7-22(8-10-25)19-23-11-15-30(16-12-23)24-13-17-31(18-14-24)28(32)26-6-4-5-21(3)27(26)29/h4-10,20,23-24H,11-19,29H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRVAPRXTZWHKIK-UHFFFAOYSA-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