General Information of the Compound
| Compound ID |
CP0472625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[6-[4-[6-(2-oxo-1,3-benzothiazol-3-yl)hexyl]piperazin-1-yl]hexyl]-1,3-benzothiazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H40N4O2S2
|
||||||||||||||||||
| Molecular Weight |
552.81
|
||||||||||||||||||
| Canonical SMILES |
O=c1sc2ccccc2n1CCCCCCN1CCN(CCCCCCn2c3ccccc3sc2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40N4O2S2/c35-29-33(25-13-5-7-15-27(25)37-29)19-11-3-1-9-17-31-21-23-32(24-22-31)18-10-2-4-12-20-34-26-14-6-8-16-28(26)38-30(34)36/h5-8,13-16H,1-4,9-12,17-24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXZPCJAIIANRCD-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