General Information of the Compound
| Compound ID |
CP0966024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R)-2-Amino-3-methyl-1-(4H-pyrrolo[3,4-c]isoxazol-5(6H)-yl)pentan-1-one 2,2,2-trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H18F3N3O4
|
||||||||||||||||||
| Molecular Weight |
337.298
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H](C)[C@H](N)C(=O)N1Cc2conc2C1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H17N3O2.C2HF3O2/c1-3-7(2)10(12)11(15)14-4-8-6-16-13-9(8)5-14;3-2(4,5)1(6)7/h6-7,10H,3-5,12H2,1-2H3;(H,6,7)/t7-,10+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ISOWXEXDRHVPHH-QJVKKXMWSA-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