General Information of the Compound
| Compound ID |
CP0421359
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[6-(methylsulfamoyloxy)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] N-methylsulfamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33N3O8S3
|
||||||||||||||||||
| Molecular Weight |
659.808
|
||||||||||||||||||
| Canonical SMILES |
CNS(=O)(=O)Oc1ccc(cc1)-c1sc2cc(OS(=O)(=O)NC)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33N3O8S3/c1-31-43(35,36)40-24-12-8-22(9-13-24)30-28(26-15-14-25(20-27(26)42-30)41-44(37,38)32-2)29(34)21-6-10-23(11-7-21)39-19-18-33-16-4-3-5-17-33/h6-15,20,31-32H,3-5,16-19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHOIRQUXBHEQQT-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