General Information of the Compound
| Compound ID |
CP0127644
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4S,5R)-3-[[4-amino-3-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]methyl]-5-[(3,3-dimethyl-1H-2-benzofuran-5-yl)methylamino]-1,1-dioxothian-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29F7N2O5S
|
||||||||||||||||||
| Molecular Weight |
614.58
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OCc2ccc(CN[C@H]3CS(=O)(=O)C[C@@H](Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)[C@@H]3O)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29F7N2O5S/c1-24(2)17-6-13(3-4-15(17)10-39-24)9-35-19-12-41(37,38)11-16(22(19)36)5-14-7-18(27)21(34)20(8-14)40-23(25(28,29)30)26(31,32)33/h3-4,6-8,16,19,22-23,35-36H,5,9-12,34H2,1-2H3/t16-,19+,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZOLBCYZUXLXMZ-WVBUVRCRSA-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