General Information of the Compound
| Compound ID |
CP0508816
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24F3N7O3S
|
||||||||||||||||||
| Molecular Weight |
559.574
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CO)Nc1nc(-c2cccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)c2)c2c(N)c(sc2n1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24F3N7O3S/c1-24(2,11-36)35-22-33-18(16-17(29)19(20(30)37)39-21(16)34-22)12-4-3-5-15(10-12)32-23(38)31-14-8-6-13(7-9-14)25(26,27)28/h3-10,36H,11,29H2,1-2H3,(H2,30,37)(H2,31,32,38)(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRGJRSOYRDLURW-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