General Information of the Compound
| Compound ID |
CP0165966
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4S,5R)-3-[[4-amino-3-fluoro-5-(3,3,3-trifluoropropoxy)phenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxothian-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34F4N2O4S
|
||||||||||||||||||
| Molecular Weight |
546.627
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCC(F)(F)F)c3)[C@@H]2O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34F4N2O4S/c1-25(2,3)19-6-4-5-16(10-19)13-32-21-15-37(34,35)14-18(24(21)33)9-17-11-20(27)23(31)22(12-17)36-8-7-26(28,29)30/h4-6,10-12,18,21,24,32-33H,7-9,13-15,31H2,1-3H3/t18-,21+,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCNAIANLPZIMKT-ZHRMCQFGSA-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