General Information of the Compound
| Compound ID |
CP0509912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H31F2N5O3S
|
||||||||||||||||||
| Molecular Weight |
651.739
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H31F2N5O3S/c1-39-35(45)40-25-18-16-24(17-19-25)32-28(21-41(2)20-23-10-5-3-6-11-23)31-33(44)43(26-12-7-4-8-13-26)36(46)42(34(31)47-32)22-27-29(37)14-9-15-30(27)38/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWTAINSHJVUOOY-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