General Information of the Compound
| Compound ID |
CP0444042
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-methoxypyridin-3-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N3O3
|
||||||||||||||||||
| Molecular Weight |
381.476
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2c(N)cccc2C[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O3/c1-28-21-6-5-16(13-24-21)22(27)14-7-9-25(10-8-14)19-12-17-15(11-20(19)26)3-2-4-18(17)23/h2-6,13-14,19-20,26H,7-12,23H2,1H3/t19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQDJVRIMEUAOSW-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