General Information of the Compound
| Compound ID |
CP0456240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-fluoropyridin-3-yl)-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23FN2O2
|
||||||||||||||||||
| Molecular Weight |
354.425
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1cncc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23FN2O2/c22-18-9-17(12-23-13-18)21(26)14-5-7-24(8-6-14)19-10-15-3-1-2-4-16(15)11-20(19)25/h1-4,9,12-14,19-20,25H,5-8,10-11H2/t19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOTVFJCXEBPMNH-WOJBJXKFSA-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