General Information of the Compound
| Compound ID |
CP0859920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Propane-1-sulfonic acid (2,4-difluoro-3-[2-(2-methoxypyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]phenyl)amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18F2N6O4S
|
||||||||||||||||||
| Molecular Weight |
488.476
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc(OC)nc4)nc23)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18F2N6O4S/c1-3-6-34(31,32)29-14-5-4-13(22)16(17(14)23)19(30)12-9-24-20-18(12)28-15(10-25-20)11-7-26-21(33-2)27-8-11/h4-5,7-10,29H,3,6H2,1-2H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NQSJCIDRHOQLNP-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