General Information of the Compound
| Compound ID |
CP0003056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9745291, Compound 65
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N3O5S
|
||||||||||||||||||
| Molecular Weight |
419.503
|
||||||||||||||||||
| Canonical SMILES |
NS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N3O5S/c21-29(26,27)19-8-4-3-7-18(19)28-14-20(25)22-11-17(24)13-23-10-9-15-5-1-2-6-16(15)12-23/h1-8,17,24H,9-14H2,(H,22,25)(H2,21,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLPQJYLBMADCRK-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