General Information of the Compound
| Compound ID |
CP0556098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 112
Show/Hide
|
||||||||||||||||||
| Formula |
C23H26F6N6O2
|
||||||||||||||||||
| Molecular Weight |
532.489
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)C(=O)NC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26F6N6O2/c24-22(25,26)14-3-6-18-17(7-14)20(33-12-32-18)30-9-19(36)34-15-10-35(11-15)16-4-1-13(2-5-16)8-31-21(37)23(27,28)29/h3,6-7,12-13,15-16H,1-2,4-5,8-11H2,(H,31,37)(H,34,36)(H,30,32,33)/t13-,16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZAJTNBPLDMBFE-AKAXFMLLSA-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 | |||||||||||||||||||
| 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