General Information of the Compound
| Compound ID |
CP0504905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N2O4
|
||||||||||||||||||
| Molecular Weight |
422.525
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(C[C@@H]1O)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O4/c1-31-21-9-7-18(8-10-21)24(29)19-11-14-26(15-12-19)22-13-16-27(17-23(22)28)25(30)20-5-3-2-4-6-20/h2-10,19,22-23,28H,11-17H2,1H3/t22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VETTUUOJAVLMJB-GOTSBHOMSA-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