General Information of the Compound
| Compound ID |
CP0819614
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2,2-Trifluoro-ethanesulfonic acid [2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H10F4N4O3S
|
||||||||||||||||||
| Molecular Weight |
402.329
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cccc(NS(=O)(=O)CC(F)(F)F)c1F)c1c[nH]c2ncncc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10F4N4O3S/c16-12-8(13(24)9-5-21-14-10(9)4-20-7-22-14)2-1-3-11(12)23-27(25,26)6-15(17,18)19/h1-5,7,23H,6H2,(H,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRXHTFQLPJYTDJ-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