General Information of the Compound
| Compound ID |
CP0540344
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methyl-thiophene-2-carboxamidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17N3O2S2
|
||||||||||||||||||
| Molecular Weight |
359.476
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)-c1csc(n1)-c1cc(sc1C)C(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17N3O2S2/c1-9-11(7-15(24-9)16(18)19)17-20-12(8-23-17)10-4-5-13(21-2)14(6-10)22-3/h4-8H,1-3H3,(H3,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIWUUXYWSYYDIP-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