General Information of the Compound
| Compound ID |
CP0562627
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[(1R)-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)pyridin-2-yl]ethyl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C23H26F6N6O3
|
||||||||||||||||||
| Molecular Weight |
548.488
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@H](C)c1cc(c(OC)cn1)-c1cn2ccnc2c(OC)n1)C(=O)N[C@@H](CCC(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26F6N6O3/c1-5-35(21(36)33-18(23(27,28)29)6-7-22(24,25)26)13(2)15-10-14(17(37-3)11-31-15)16-12-34-9-8-30-19(34)20(32-16)38-4/h8-13,18H,5-7H2,1-4H3,(H,33,36)/t13-,18+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITBXEGSPKUHVQU-ACJLOTCBSA-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