General Information of the Compound
| Compound ID |
CP0364143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(4S,5R)-2-amino-4-methyl-5-(oxan-4-yl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25F2N5O3S
|
||||||||||||||||||
| Molecular Weight |
477.537
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(N=C(N)SC[C@@H]1C1CCOCC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25F2N5O3S/c1-22(16(11-33-21(25)29-22)13-4-6-31-7-5-13)15-8-14(2-3-17(15)24)28-20(30)18-9-27-19(10-26-18)32-12-23/h2-3,8-10,13,16H,4-7,11-12H2,1H3,(H2,25,29)(H,28,30)/t16-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZCOYONDHXLHIX-OPAMFIHVSA-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