General Information of the Compound
| Compound ID |
CP0569726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethylsulfonyl]phenoxy]-6H-thieno[2,3-e]indazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25F4N3O3S2
|
||||||||||||||||||
| Molecular Weight |
603.663
|
||||||||||||||||||
| Canonical SMILES |
CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(cc1)S(=O)(=O)CCN1CC(CF)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25F4N3O3S2/c1-29(32,33)24-12-18(31)2-7-21(24)28-26(22-8-9-25-23(14-34-35-25)27(22)40-28)39-19-3-5-20(6-4-19)41(37,38)11-10-36-15-17(13-30)16-36/h2-9,12,14,17H,10-11,13,15-16H2,1H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBMTXRUJVBZHRY-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 | |||||||||||||||||||
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