General Information of the Compound
| Compound ID |
CP0514983
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993565, 130
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O3S
|
||||||||||||||||||
| Molecular Weight |
384.461
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CC(=O)Nc2cccc3sccc23)nc(cc1=O)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O3S/c1-22-16(21-17(12-19(22)25)23-6-8-26-9-7-23)11-18(24)20-14-3-2-4-15-13(14)5-10-27-15/h2-5,10,12H,6-9,11H2,1H3,(H,20,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKWZSFUJVGKPTB-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