General Information of the Compound
| Compound ID |
CP0556183
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-N-(6-fluoro-1-oxo-2H-isoquinolin-7-yl)thiophene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14F3N3O4S2
|
||||||||||||||||||
| Molecular Weight |
445.444
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1CN(CC1(F)F)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14F3N3O4S2/c18-11-5-9-3-4-21-16(25)10(9)6-12(11)22-29(26,27)15-2-1-14(28-15)23-7-13(24)17(19,20)8-23/h1-6,13,22,24H,7-8H2,(H,21,25)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQYXSDSLQRMVCQ-CYBMUJFWSA-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