General Information of the Compound
| Compound ID |
CP0365888
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aR,6S,8aS)-8a-(2,4-difluorophenyl)-6-ethyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18F2N2OS
|
||||||||||||||||||
| Molecular Weight |
312.385
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18F2N2OS/c1-2-11-5-9-7-21-14(18)19-15(9,8-20-11)12-4-3-10(16)6-13(12)17/h3-4,6,9,11H,2,5,7-8H2,1H3,(H2,18,19)/t9-,11-,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLMQRTLFGJQYQQ-ZSGNIPIJSA-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