General Information of the Compound
| Compound ID |
CP0411075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1R,2S,6R,7R)-2-methyl-3,3,10-trioxo-3lambda6-thia-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(trifluoromethyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
384.379
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]12[C@@H](CN(c3ccc(C#N)c(c3)C(F)(F)F)S1(=O)=O)[C@H]1CC[C@@H]2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15F3N2O3S/c1-16-12-5-4-11(15(12)23)14(16)8-22(26(16,24)25)10-3-2-9(7-21)13(6-10)17(18,19)20/h2-3,6,11-12,14H,4-5,8H2,1H3/t11-,12-,14+,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LGYLNMVCFJRFAT-UNIGVISCSA-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