General Information of the Compound
| Compound ID |
CP0147562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-methylpropyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-(3-methylsulfonylphenyl)but-3-yn-2-yl]phenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26F3NO5S2
|
||||||||||||||||||
| Molecular Weight |
565.635
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1cccc(c1)S(C)(=O)=O)C(F)(F)F)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26F3NO5S2/c1-20(2)19-31(38(35,36)24-9-5-4-6-10-24)23-14-12-22(13-15-23)26(32,27(28,29)30)17-16-21-8-7-11-25(18-21)37(3,33)34/h4-15,18,20,32H,19H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAORBOVWEZBARO-UHFFFAOYSA-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