General Information of the Compound
| Compound ID |
CP0255478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10239843, Example 23
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21N3O4S
|
||||||||||||||||||
| Molecular Weight |
363.439
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(=O)n(CC2CC2)c2ccc(cc2c1=O)S(=O)(=O)NC1(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N3O4S/c1-17(7-8-17)18-25(23,24)12-5-6-14-13(9-12)15(21)19(2)16(22)20(14)10-11-3-4-11/h5-6,9,11,18H,3-4,7-8,10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AXMXMMJXTSJFHK-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