General Information of the Compound
| Compound ID |
CP0314141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(3-cyanophenyl)-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]-N-(2-methylpropyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H23F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
512.553
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1cccc(c1)C#N)C(F)(F)F)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H23F3N2O3S/c1-20(2)19-32(36(34,35)25-9-4-3-5-10-25)24-13-11-23(12-14-24)26(33,27(28,29)30)16-15-21-7-6-8-22(17-21)18-31/h3-14,17,20,33H,19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQABSMGHWUOXTB-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