General Information of the Compound
| Compound ID |
CP0443848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3,5-dimethylthiophen-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32N2OS
|
||||||||||||||||||
| Molecular Weight |
384.589
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c(CNCC[C@]2(CCOC3(CCCC3)C2)c2ccccn2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32N2OS/c1-18-15-19(2)27-20(18)16-24-13-10-22(21-7-3-6-12-25-21)11-14-26-23(17-22)8-4-5-9-23/h3,6-7,12,15,24H,4-5,8-11,13-14,16-17H2,1-2H3/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAZIESBCQZVJBQ-JOCHJYFZSA-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