General Information of the Compound
| Compound ID |
CP0506405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-hydroxy-3-(2H-triazol-4-ylsulfanyl)naphthalen-1-yl]thiophene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12N4O3S3
|
||||||||||||||||||
| Molecular Weight |
404.498
|
||||||||||||||||||
| Canonical SMILES |
Oc1c(Sc2cnn[nH]2)cc(NS(=O)(=O)c2cccs2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12N4O3S3/c21-16-11-5-2-1-4-10(11)12(8-13(16)25-14-9-17-20-18-14)19-26(22,23)15-6-3-7-24-15/h1-9,19,21H,(H,17,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OANJUWFWDZRXNU-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