General Information of the Compound
| Compound ID |
CP0917748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S,3S,5S)-methyl 8-methyl-3-(4-propylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H27NO2
|
||||||||||||||||||
| Molecular Weight |
301.43
|
||||||||||||||||||
| Canonical SMILES |
CCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H27NO2/c1-4-5-13-6-8-14(9-7-13)16-12-15-10-11-17(20(15)2)18(16)19(21)22-3/h6-9,15-18H,4-5,10-12H2,1-3H3/t15-,16+,17+,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHKFTIBAMCJBQD-MLHJIOFPSA-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