General Information of the Compound
| Compound ID |
CP0943391
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)-5-(1,2-dithiolan-3-yl)-N-methylpentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28N2O4S3
|
||||||||||||||||||
| Molecular Weight |
468.666
|
||||||||||||||||||
| Canonical SMILES |
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)CCCCC1CCSS1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N2O4S3/c1-23(19(24)5-3-2-4-17-10-13-28-30-17)11-12-27-16-8-6-15(7-9-16)14-18-20(25)22-21(26)29-18/h6-9,17-18H,2-5,10-14H2,1H3,(H,22,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPKRZECBZUCROC-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