General Information of the Compound
| Compound ID |
CP0495302
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H30FN3O3S2
|
||||||||||||||||||
| Molecular Weight |
587.742
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(cs3)-c3ccc(F)cc3)cc2)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H30FN3O3S2/c33-27-12-10-25(11-13-27)30-22-40-32(35-30)20-24-8-16-29(17-9-24)41(38,39)36-28-14-6-23(7-15-28)18-19-34-21-31(37)26-4-2-1-3-5-26/h1-17,22,31,34,36-37H,18-21H2/t31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQRSDLGGRUPJME-HKBQPEDESA-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