General Information of the Compound
| Compound ID |
CP0521284
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 119
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26F3N5O
|
||||||||||||||||||
| Molecular Weight |
421.467
|
||||||||||||||||||
| Canonical SMILES |
CC1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26F3N5O/c1-13-2-5-16(6-3-13)29-10-15(11-29)28-19(30)9-25-20-17-8-14(21(22,23)24)4-7-18(17)26-12-27-20/h4,7-8,12-13,15-16H,2-3,5-6,9-11H2,1H3,(H,28,30)(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGNXRMVSZDOGKE-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