General Information of the Compound
| Compound ID |
CP0572727
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1R)-2-(3,4-dimethylphenyl)-1-[(2-phenylacetyl)amino]ethyl]boronic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22BNO3
|
||||||||||||||||||
| Molecular Weight |
311.19
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C[C@H](NC(=O)Cc2ccccc2)B(O)O)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22BNO3/c1-13-8-9-16(10-14(13)2)11-17(19(22)23)20-18(21)12-15-6-4-3-5-7-15/h3-10,17,22-23H,11-12H2,1-2H3,(H,20,21)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIEVZOTYTPVHCW-KRWDZBQOSA-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 | |||||||||||||||||||
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