General Information of the Compound
| Compound ID |
CP0445542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-[6-(4-ethoxypyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoro-2,3-dihydroindole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25FN6O
|
||||||||||||||||||
| Molecular Weight |
408.481
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25FN6O/c1-2-30-19-14-24-29(15-19)22-6-5-21(25-26-22)27-10-8-18(9-11-27)28-12-7-16-3-4-17(23)13-20(16)28/h3-6,13-15,18H,2,7-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUIRPQHNXDKVBP-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