General Information of the Compound
Compound ID |
CP0475247
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
5-[[(R)-[(R)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C17H14BrNOS2
|
||||||||||||||||||
Molecular Weight |
392.343
|
||||||||||||||||||
Canonical SMILES |
[O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Br)cc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
WTQVZZYEGQKTRU-VGOFRKELSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter