General Information of the Compound
| Compound ID |
CP0398691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[4-(diethylamino)phenyl]ethyl]-5-fluoro-1H-indole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24FN3O
|
||||||||||||||||||
| Molecular Weight |
353.441
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1ccc(CCNC(=O)c2cc3cc(F)ccc3[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24FN3O/c1-3-25(4-2)18-8-5-15(6-9-18)11-12-23-21(26)20-14-16-13-17(22)7-10-19(16)24-20/h5-10,13-14,24H,3-4,11-12H2,1-2H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYUOXGBSHSELQU-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