General Information of the Compound
| Compound ID |
CP0920442
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(1H-1,2,4-triazol-5-ylthio)-4-oxonaphthalen-1(4H)-ylidene)thiophene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H10N4O3S3
|
||||||||||||||||||
| Molecular Weight |
402.482
|
||||||||||||||||||
| Canonical SMILES |
O=C1C(Sc2ncn[nH]2)=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10N4O3S3/c21-15-11-5-2-1-4-10(11)12(8-13(15)25-16-17-9-18-19-16)20-26(22,23)14-6-3-7-24-14/h1-9H,(H,17,18,19)/b20-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJZRFSPMMFHWTB-UDWIEESQSA-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