General Information of the Compound
| Compound ID |
CP0493321
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 170
Show/Hide
|
||||||||||||||||||
| Formula |
C25H31F5N4O2
|
||||||||||||||||||
| Molecular Weight |
514.539
|
||||||||||||||||||
| Canonical SMILES |
CCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31F5N4O2/c1-2-21(35)16-4-7-19(8-5-16)34-13-18(14-34)33-22(36)12-32-23-20-11-17(24(26,27)25(28,29)30)6-3-15(20)9-10-31-23/h3,6,9-11,16,18-19,21,35H,2,4-5,7-8,12-14H2,1H3,(H,31,32)(H,33,36)/t16-,19+,21?
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTWCIZBJSHIPBT-DSENVFOLSA-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