General Information of the Compound
| Compound ID |
CP0526400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 165
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22F3N3O
|
||||||||||||||||||
| Molecular Weight |
365.399
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1CCCC[C@@H]1CNCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22F3N3O/c20-19(21,22)15-7-5-13(6-8-15)18-24-10-9-16(25-18)12-23-11-14-3-1-2-4-17(14)26/h5-10,14,17,23,26H,1-4,11-12H2/t14-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQEMKPRNLPTVAS-PBHICJAKSA-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