General Information of the Compound
| Compound ID |
CP0580054
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[1-[2-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)pyrimidin-4-yl]ethyl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C21H23F6N7O2
|
||||||||||||||||||
| Molecular Weight |
519.45
|
||||||||||||||||||
| Canonical SMILES |
CCN(C(C)c1ccnc(n1)-c1cn2ccnc2c(OC)n1)C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F6N7O2/c1-4-34(19(35)32-15(21(25,26)27)5-7-20(22,23)24)12(2)13-6-8-28-16(30-13)14-11-33-10-9-29-17(33)18(31-14)36-3/h6,8-12,15H,4-5,7H2,1-3H3,(H,32,35)/t12?,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SAPWMOBTPHCLBU-CVRLYYSRSA-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