General Information of the Compound
| Compound ID |
CP0968884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(2-hydroxyethyl)-cyclobutane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21F3N2O2
|
||||||||||||||||||
| Molecular Weight |
402.416
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCO)C1CC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21F3N2O2/c23-15-3-1-13(2-4-15)20-17(18-10-16(24)11-19(25)21(18)27-20)9-12-7-14(8-12)22(29)26-5-6-28/h1-4,10-12,14,27-28H,5-9H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQVFIXWIESHQMO-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