General Information of the Compound
| Compound ID |
CP0575923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R)-1-(2-amino-6-fluorobenzoyl)pyrrolidin-2-yl]boronic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H14BFN2O3
|
||||||||||||||||||
| Molecular Weight |
252.054
|
||||||||||||||||||
| Canonical SMILES |
Nc1cccc(F)c1C(=O)N1CCC[C@H]1B(O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H14BFN2O3/c13-7-3-1-4-8(14)10(7)11(16)15-6-2-5-9(15)12(17)18/h1,3-4,9,17-18H,2,5-6,14H2/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMNSHHMCKVNCCR-VIFPVBQESA-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