General Information of the Compound
| Compound ID |
CP0535208
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-(2-hydroxy-2-methylpropyl)-5-methylthiazol-4(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H21FN2O2S
|
||||||||||||||||||
| Molecular Weight |
324.421
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC1=NC(=O)C(C)(CC(C)(C)O)S1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H21FN2O2S/c1-10(11-5-7-12(17)8-6-11)18-14-19-13(20)16(4,22-14)9-15(2,3)21/h5-8,10,21H,9H2,1-4H3,(H,18,19,20)/t10-,16?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWEKJVSDSPQIOU-VQVVDHBBSA-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