General Information of the Compound
| Compound ID |
CP0517475
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-6-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22F2N6O3S
|
||||||||||||||||||
| Molecular Weight |
464.498
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)N2CCCC2)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22F2N6O3S/c1-2-9-32(30,31)26-15-6-5-14(21)18(19(15)22)20(29)24-13-11-23-16-10-17(25-28(16)12-13)27-7-3-4-8-27/h5-6,10-12,26H,2-4,7-9H2,1H3,(H,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTKJOOFZQTUKKQ-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