General Information of the Compound
| Compound ID |
CP0473613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,2,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]- N, N-dimethyl-, monohydrobromide
Show/Hide
|
||||||||||||||||||
| Formula |
C9H11N3OS2
|
||||||||||||||||||
| Molecular Weight |
241.341
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1n\c(=N\Cc2ccco2)ss1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H11N3OS2/c1-12(2)9-11-8(14-15-9)10-6-7-4-3-5-13-7/h3-5H,6H2,1-2H3/b10-8-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIINLXGWSVXPIL-NTMALXAHSA-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 | |||||||||||||||||||
| 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