General Information of the Compound
| Compound ID |
CP0351171
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Chloro-3-(1-ethyl-propyl)-1-(4-fluoro-phenyl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClFN
|
||||||||||||||||||
| Molecular Weight |
315.819
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClFN/c1-3-13(4-2)18-12-22(16-8-6-15(21)7-9-16)19-10-5-14(20)11-17(18)19/h5-13H,3-4H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNJOPFKFRONBCT-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