General Information of the Compound
| Compound ID |
CP0534902
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-5,6-dihydro-1,3-thiazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19F2N3OS
|
||||||||||||||||||
| Molecular Weight |
399.466
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F2N3OS/c1-12-18(19(27-26-12)13-6-4-3-5-7-13)17-11-21(2,25-20(24)28-17)15-9-8-14(22)10-16(15)23/h3-10,17H,11H2,1-2H3,(H2,24,25)/t17-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUNVXFPJYKCLOT-UWJYYQICSA-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