General Information of the Compound
| Compound ID |
CP0481177
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 9
Show/Hide
|
||||||||||||||||||
| Formula |
C22H26F3N5O
|
||||||||||||||||||
| Molecular Weight |
433.478
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C=C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26F3N5O/c1-2-14-3-6-17(7-4-14)30-11-16(12-30)29-20(31)10-26-21-18-9-15(22(23,24)25)5-8-19(18)27-13-28-21/h2,5,8-9,13-14,16-17H,1,3-4,6-7,10-12H2,(H,29,31)(H,26,27,28)/t14-,17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKKXFBGADHIQJX-KDYLLFBJSA-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