General Information of the Compound
| Compound ID |
CP0493664
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[(S)-[(R)-(4-methylphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17NOS2
|
||||||||||||||||||
| Molecular Weight |
327.474
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)[C@H]([S@@+]([O-])Cc1cncs1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17NOS2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)22(20)12-17-11-19-13-21-17/h2-11,13,18H,12H2,1H3/t18-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMJNCYWJEPGMOC-GCJKJVERSA-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