General Information of the Compound
| Compound ID |
CP0361400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aR,6S,8aS)-6-methyl-8a-[2-(trifluoromethyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17F3N2OS
|
||||||||||||||||||
| Molecular Weight |
330.375
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17F3N2OS/c1-9-6-10-7-22-13(19)20-14(10,8-21-9)11-4-2-3-5-12(11)15(16,17)18/h2-5,9-10H,6-8H2,1H3,(H2,19,20)/t9-,10-,14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UASXOTVJCSRYMT-BHDSKKPTSA-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