General Information of the Compound
| Compound ID |
CP0468176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS000328049
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N3O3S
|
||||||||||||||||||
| Molecular Weight |
359.451
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N3O3S/c1-12-9-16-18(17(13(12)2)20-25(4,22)23)19-11-21(16)10-14-5-7-15(24-3)8-6-14/h5-9,11,20H,10H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKFHHOBYJADYLZ-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