General Information of the Compound
| Compound ID |
CP0550344
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-fluoro-4-[[6-(oxan-4-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C32H32F2N6O5
|
||||||||||||||||||
| Molecular Weight |
618.641
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC5CCOCC5)Cc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H32F2N6O5/c1-19(2)39-16-25(31(42)40(32(39)43)23-6-3-21(33)4-7-23)29(41)37-22-5-8-28(26(34)13-22)45-30-24-15-38(17-27(24)35-18-36-30)14-20-9-11-44-12-10-20/h3-8,13,16,18-20H,9-12,14-15,17H2,1-2H3,(H,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPQKRDLDDKHLKK-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 | |||||||||||||||||||
| 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
Protein ID: PT07205, Tyrosine-protein kinase Mer
Protein ID: PT07477, Tyrosine-protein kinase receptor UFO