General Information of the Compound
| Compound ID |
CP0125169
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(4-ethylpiperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19N3OS2
|
||||||||||||||||||
| Molecular Weight |
357.504
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CC1)C(=O)c1ccc(s1)-c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19N3OS2/c1-2-20-9-11-21(12-10-20)18(22)16-8-7-15(23-16)17-19-13-5-3-4-6-14(13)24-17/h3-8H,2,9-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWUDCQQAISVQOP-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