General Information of the Compound
| Compound ID |
CP0398077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(2,4-dichlorophenyl)piperazin-1-yl)-2-(thiazol-5-ylmethoxy)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17Cl2N3O2S
|
||||||||||||||||||
| Molecular Weight |
386.304
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(N2CCN(CC2)C(=O)COCc2cncs2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17Cl2N3O2S/c17-12-1-2-15(14(18)7-12)20-3-5-21(6-4-20)16(22)10-23-9-13-8-19-11-24-13/h1-2,7-8,11H,3-6,9-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWUPMKDQVIKKNJ-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