General Information of the Compound
| Compound ID |
CP0423915
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10167273, Example 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
397.928
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(CCC1Oc1ccc(Cl)cc1)S(=O)(=O)c1c(C)nn(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H24ClN3O3S/c1-12-11-22(26(23,24)18-13(2)20-21(4)14(18)3)10-9-17(12)25-16-7-5-15(19)6-8-16/h5-8,12,17H,9-11H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWRCFJHYABVTIV-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