General Information of the Compound
| Compound ID |
CP0317631
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2,5-difluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C36H39F3N8O5
|
||||||||||||||||||
| Molecular Weight |
720.753
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)N4CCC(CC4)N4CCN(C)CC4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H39F3N8O5/c1-22(2)46-21-27(34(49)47(36(46)51)25-6-4-23(37)5-7-25)33(48)41-30-19-29(39)31(20-28(30)38)52-26-8-11-40-32(18-26)42-35(50)45-12-9-24(10-13-45)44-16-14-43(3)15-17-44/h4-8,11,18-22,24H,9-10,12-17H2,1-3H3,(H,41,48)(H,40,42,50)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYSXNODIVIMDDT-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