General Information of the Compound
| Compound ID |
CP0411443
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-(4-amino-2,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21F4N5O
|
||||||||||||||||||
| Molecular Weight |
483.469
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(N)c2c(cn(C)c2n1)-c1ccc2N(CC(=O)c3cc(F)cc(c3)C(F)(F)F)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21F4N5O/c1-13-31-23(30)22-19(11-33(2)24(22)32-13)14-3-4-20-15(7-14)5-6-34(20)12-21(35)16-8-17(25(27,28)29)10-18(26)9-16/h3-4,7-11H,5-6,12H2,1-2H3,(H2,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OFKRFKMCADRHKY-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
Protein ID: PT02815, Eukaryotic translation initiation factor 2-alpha kinase 3