General Information of the Compound
| Compound ID |
CP0549993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-[(4S,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-4-yl]thiophen-3-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N4OS2
|
||||||||||||||||||
| Molecular Weight |
394.525
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(cs1)-c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4OS2/c1-11-19(12(2)25-24-11)18-8-16(23-20(22)27-18)17-7-15(10-26-17)14-5-3-4-13(6-14)9-21/h3-7,10,16,18H,8H2,1-2H3,(H2,22,23)/t16-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEGMKFULIAKHNW-WMZOPIPTSA-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