General Information of the Compound
| Compound ID |
CP0548098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10167273, Example 79
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H26ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
411.955
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Cl)ccc1CC1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22(3)21-13)27(24,25)23-9-7-15(8-10-23)11-16-5-6-17(20)12-18(16)26-4/h5-6,12,15H,7-11H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHEXKHCZHUFGSZ-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