General Information of the Compound
| Compound ID |
CP0334821
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2,2-dioxo-3-[[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]methyl]-2lambda6,1,3-benzothiadiazol-1-yl]-1-pyrrolidin-1-ylbutan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26F3N3O4S
|
||||||||||||||||||
| Molecular Weight |
497.539
|
||||||||||||||||||
| Canonical SMILES |
OC(c1ccc(CN2c3ccccc3N(CCCC(=O)N3CCCC3)S2(=O)=O)cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26F3N3O4S/c24-23(25,26)22(31)18-11-9-17(10-12-18)16-29-20-7-2-1-6-19(20)28(34(29,32)33)15-5-8-21(30)27-13-3-4-14-27/h1-2,6-7,9-12,22,31H,3-5,8,13-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSDMAEGDPQPCMJ-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