General Information of the Compound
| Compound ID |
CP0236921
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyano-N-[4-[4-(4-cyanophenyl)-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]-N-(2-methylpropyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
537.563
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1ccc(cc1)C#N)C(F)(F)F)S(=O)(=O)c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22F3N3O3S/c1-20(2)19-34(38(36,37)26-5-3-4-23(16-26)18-33)25-12-10-24(11-13-25)27(35,28(29,30)31)15-14-21-6-8-22(17-32)9-7-21/h3-13,16,20,35H,19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WURQNCCSOKMJQO-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