General Information of the Compound
| Compound ID |
CP0385141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16F4N6
|
||||||||||||||||||
| Molecular Weight |
416.382
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(Nc2ccc(F)c(c2)C(F)(F)F)c2cc(CCc3ccccn3)[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16F4N6/c21-16-7-6-13(10-15(16)20(22,23)24)28-18-14-9-12(27-17(14)29-19(25)30-18)5-4-11-3-1-2-8-26-11/h1-3,6-10H,4-5H2,(H4,25,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZESCQBMJGMJQDV-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