General Information of the Compound
| Compound ID |
CP0543830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-difluoroethyl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
Show/Hide
|
||||||||||||||||||
| Formula |
C14H15F2NO3
|
||||||||||||||||||
| Molecular Weight |
283.274
|
||||||||||||||||||
| Canonical SMILES |
FC(F)COC(=O)CCC(=O)N1CCc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15F2NO3/c15-12(16)9-20-14(19)6-5-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-4,12H,5-9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBGADGOMZKMKIY-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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||