General Information of the Compound
| Compound ID |
CP0844799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-Ethyl-benzo[b]thiophene-2-carbonyl)-guanidine; compound with methanesulfonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H17N3O4S2
|
||||||||||||||||||
| Molecular Weight |
343.43
|
||||||||||||||||||
| Canonical SMILES |
CCc1cccc2sc(C(=O)N=C(N)N)cc12.CS(=O)(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H13N3OS.CH4O3S/c1-2-7-4-3-5-9-8(7)6-10(17-9)11(16)15-12(13)14;1-5(2,3)4/h3-6H,2H2,1H3,(H4,13,14,15,16);1H3,(H,2,3,4)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBRXFDQIRURWPX-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