General Information of the Compound
| Compound ID |
CP0517804
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-methyl-2-[[6-[4-(trifluoromethyl)phenoxy]pyridine-3-carbonyl]amino]phenyl]boronic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16BF3N2O4
|
||||||||||||||||||
| Molecular Weight |
416.164
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)nc2)c(c1)B(O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16BF3N2O4/c1-12-2-8-17(16(10-12)21(28)29)26-19(27)13-3-9-18(25-11-13)30-15-6-4-14(5-7-15)20(22,23)24/h2-11,28-29H,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIRMJKOVENECRF-UHFFFAOYSA-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