General Information of the Compound
| Compound ID |
CP0966441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-(2-nitro-1-phenylethyl)-1H-indol-2-yl)thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15N3O2S
|
||||||||||||||||||
| Molecular Weight |
349.415
|
||||||||||||||||||
| Canonical SMILES |
O=[N+]([O-])CC(c1ccccc1)c1c(-c2cncs2)[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15N3O2S/c23-22(24)11-15(13-6-2-1-3-7-13)18-14-8-4-5-9-16(14)21-19(18)17-10-20-12-25-17/h1-10,12,15,21H,11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQDXSZHVPCELKU-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