General Information of the Compound
| Compound ID |
CP0576534
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17FN6
|
||||||||||||||||||
| Molecular Weight |
324.363
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c(Cc3nncn3CCCc3c[nH]cn3)c[nH]c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17FN6/c18-13-3-4-15-12(8-20-16(15)7-13)6-17-23-22-11-24(17)5-1-2-14-9-19-10-21-14/h3-4,7-11,20H,1-2,5-6H2,(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKILUYGGNRRSKR-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