General Information of the Compound
| Compound ID |
CP0125074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4S,5R)-3-[[4-amino-3-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]methyl]-5-[[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]methylamino]-1,1-dioxothian-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30F7N3O5S
|
||||||||||||||||||
| Molecular Weight |
605.573
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30F7N3O5S/c1-22(2,3)8-15-7-14(34-39-15)9-33-17-11-40(36,37)10-13(20(17)35)4-12-5-16(25)19(32)18(6-12)38-21(23(26,27)28)24(29,30)31/h5-7,13,17,20-21,33,35H,4,8-11,32H2,1-3H3/t13-,17+,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMAIWRCWOGUIRQ-VOWSPCBNSA-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