General Information of the Compound
| Compound ID |
CP0490543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802711, 31
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F3N4O
|
||||||||||||||||||
| Molecular Weight |
402.42
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1)[C@@H]1CCC[C@H](C1)NC(=O)Nc1cccc2[nH]ncc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F3N4O/c22-21(23,24)15-9-7-13(8-10-15)14-3-1-4-16(11-14)26-20(29)27-18-5-2-6-19-17(18)12-25-28-19/h2,5-10,12,14,16H,1,3-4,11H2,(H,25,28)(H2,26,27,29)/t14-,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVTYVUMSPWLWRY-GDBMZVCRSA-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