General Information of the Compound
| Compound ID |
CP0564522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27F2N7O2
|
||||||||||||||||||
| Molecular Weight |
555.589
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCn2c(C1)cnc2C=C)-c1c(O)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27F2N7O2/c1-5-23-34-14-18-15-37(11-12-38(18)23)28-19-13-21(32)26(24-20(31)7-6-8-22(24)40)35-29(19)39(30(41)36-28)27-17(4)9-10-33-25(27)16(2)3/h5-10,13-14,16,40H,1,11-12,15H2,2-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NANFHWVKNWZUGL-UHFFFAOYSA-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 | |||||||||||||||||||
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