General Information of the Compound
| Compound ID |
CP0539649
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16N4S
|
||||||||||||||||||
| Molecular Weight |
332.432
|
||||||||||||||||||
| Canonical SMILES |
C=CCSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16N4S/c1-2-12-24-19-22-21-18(23(19)15-9-4-3-5-10-15)17-13-14-8-6-7-11-16(14)20-17/h2-11,13,20H,1,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OILGWFFTZFWBTR-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