General Information of the Compound
| Compound ID |
CP0050493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[1-[(2,6-difluorophenyl)methyl]-3-(2-hydroxy-2-methylpropyl)-5-[[2-methoxyethyl(methyl)amino]methyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35F2N5O6S
|
||||||||||||||||||
| Molecular Weight |
631.702
|
||||||||||||||||||
| Canonical SMILES |
COCCN(C)Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(CC(C)(C)O)c(=O)c12)-c1ccc(NC(=O)NOC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35F2N5O6S/c1-30(2,41)17-37-26(38)24-21(15-35(3)13-14-42-4)25(18-9-11-19(12-10-18)33-28(39)34-43-5)44-27(24)36(29(37)40)16-20-22(31)7-6-8-23(20)32/h6-12,41H,13-17H2,1-5H3,(H2,33,34,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMQGLDJTYFDJPH-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 | |||||||||||||||||||
| 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