General Information of the Compound
| Compound ID |
CP0493258
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 141
Show/Hide
|
||||||||||||||||||
| Formula |
C24H32F3N7O2
|
||||||||||||||||||
| Molecular Weight |
507.561
|
||||||||||||||||||
| Canonical SMILES |
CCC(NC(N)=O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32F3N7O2/c1-2-19(33-23(28)36)14-3-6-17(7-4-14)34-11-16(12-34)32-21(35)10-29-22-18-9-15(24(25,26)27)5-8-20(18)30-13-31-22/h5,8-9,13-14,16-17,19H,2-4,6-7,10-12H2,1H3,(H,32,35)(H3,28,33,36)(H,29,30,31)/t14-,17+,19?
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSKLLXJGRIRPIT-RWWHEGPVSA-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