General Information of the Compound
| Compound ID |
CP0541051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4639908
Show/Hide
|
||||||||||||||||||
| Formula |
C21H22N2O3S
|
||||||||||||||||||
| Molecular Weight |
382.485
|
||||||||||||||||||
| Canonical SMILES |
CCCSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N2O3S/c1-3-13-27-21-22-19(24)16(14-15-9-5-4-6-10-15)20(25)23(21)17-11-7-8-12-18(17)26-2/h4-12,25H,3,13-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRYPGSLXTMSVMP-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