General Information of the Compound
| Compound ID |
CP0495465
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H34F2N4O4S
|
||||||||||||||||||
| Molecular Weight |
680.777
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3cccc(OC)c3)c(=O)c2c1CN(C)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H34F2N4O4S/c1-4-33(45)41-26-18-16-25(17-19-26)35-30(22-42(2)21-24-10-6-5-7-11-24)34-36(46)44(27-12-8-13-28(20-27)48-3)38(47)43(37(34)49-35)23-29-31(39)14-9-15-32(29)40/h5-20H,4,21-23H2,1-3H3,(H,41,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NVBGERHFKDMLCS-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