General Information of the Compound
| Compound ID |
CP0415929
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4646012
Show/Hide
|
||||||||||||||||||
| Formula |
C16H20N2O3S
|
||||||||||||||||||
| Molecular Weight |
320.414
|
||||||||||||||||||
| Canonical SMILES |
CCCSc1nc(=O)c(CC)c(O)n1-c1ccccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20N2O3S/c1-4-10-22-16-17-14(19)11(5-2)15(20)18(16)12-8-6-7-9-13(12)21-3/h6-9,20H,4-5,10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIFINVCHWWNGPS-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 | |||||||||||||||||||
| 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