General Information of the Compound
| Compound ID |
CP0425065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(benzenesulfonyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N2O4S3
|
||||||||||||||||||
| Molecular Weight |
450.607
|
||||||||||||||||||
| Canonical SMILES |
CCCC(Sc1nc2ccc(OCC)cc2s1)C(=O)NS(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N2O4S3/c1-3-8-17(19(23)22-29(24,25)15-9-6-5-7-10-15)27-20-21-16-12-11-14(26-4-2)13-18(16)28-20/h5-7,9-13,17H,3-4,8H2,1-2H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIULGMLVCCXVLC-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