General Information of the Compound
| Compound ID |
CP0531942
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-Amino-4-(2-fluoro-phenyl)-N-[4-(6-methyl-benzothiazol-2-yl)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-yl]-butyramide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26FN3O3S2
|
||||||||||||||||||
| Molecular Weight |
475.611
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26FN3O3S2/c1-15-6-7-19-20(12-15)31-22(26-19)23(8-10-32(29,30)11-9-23)27-21(28)14-17(25)13-16-4-2-3-5-18(16)24/h2-7,12,17H,8-11,13-14,25H2,1H3,(H,27,28)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGWUFIQXDXHGQJ-QGZVFWFLSA-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