General Information of the Compound
| Compound ID |
CP0505015
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-1-(4-Bromophenylsulfonyl)-4-(4-fluoro-2-(trifluoromethyl)-phenyl)-2-methylpiperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17BrF4N2O2S
|
||||||||||||||||||
| Molecular Weight |
481.309
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17BrF4N2O2S/c1-12-11-24(17-7-4-14(20)10-16(17)18(21,22)23)8-9-25(12)28(26,27)15-5-2-13(19)3-6-15/h2-7,10,12H,8-9,11H2,1H3/t12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMSZYZLTJZMDKE-GFCCVEGCSA-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1