General Information of the Compound
| Compound ID |
CP0889336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(3-Chloro-4-fluoro-phenyl)-benzo[b]thiophene-2-carbonyl]-guanidine; compound with methanesulfonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15ClFN3O4S2
|
||||||||||||||||||
| Molecular Weight |
443.909
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)O.N=C(N)NC(=O)c1cc2c(-c3ccc(F)c(Cl)c3)cccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11ClFN3OS.CH4O3S/c17-11-6-8(4-5-12(11)18)9-2-1-3-13-10(9)7-14(23-13)15(22)21-16(19)20;1-5(2,3)4/h1-7H,(H4,19,20,21,22);1H3,(H,2,3,4)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDFOUBOXXTXZKK-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