General Information of the Compound
| Compound ID |
CP0562625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(1R)-1-(4,4-difluorooxan-2-yl)propyl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C26H33F2N5O3
|
||||||||||||||||||
| Molecular Weight |
501.578
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H](NC(=O)N(CC)[C@H](C)c1cccc(c1)-c1cn2ccnc2c(OC)n1)C1CC(F)(F)CCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33F2N5O3/c1-5-20(22-15-26(27,28)10-13-36-22)31-25(34)33(6-2)17(3)18-8-7-9-19(14-18)21-16-32-12-11-29-23(32)24(30-21)35-4/h7-9,11-12,14,16-17,20,22H,5-6,10,13,15H2,1-4H3,(H,31,34)/t17-,20-,22?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFODNMSNJKVNLT-IKQMYLSPSA-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