General Information of the Compound
Compound ID |
CP0460032
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US8772297, Y098
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C23H31N3O6S2
|
||||||||||||||||||
Molecular Weight |
509.65
|
||||||||||||||||||
Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C23H31N3O6S2/c1-23(2,3)32-22(27)26-14-12-18(13-15-26)17-24-33(28,29)20-10-7-11-21(16-20)34(30,31)25-19-8-5-4-6-9-19/h4-11,16,18,24-25H,12-15,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
InChIKey |
IHJNFDCCTTWUPQ-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