General Information of the Compound
| Compound ID |
CP0079145
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10239843, Example 39
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17N3O4S
|
||||||||||||||||||
| Molecular Weight |
347.396
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(=O)n(CC#C)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17N3O4S/c1-4-9-19-13-6-5-11(24(22,23)17-16(2)7-8-16)10-12(13)14(20)18(3)15(19)21/h1,5-6,10,17H,7-9H2,2-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONEBDZKVWMWYJY-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