General Information of the Compound
| Compound ID |
CP0423926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10167273, Example 46
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20ClF2N3O3S
|
||||||||||||||||||
| Molecular Weight |
419.881
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1c(F)cc(Cl)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20ClF2N3O3S/c1-10-17(11(2)22(3)21-10)27(24,25)23-6-4-13(5-7-23)26-16-14(19)8-12(18)9-15(16)20/h8-9,13H,4-7H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZWGXNMOPZHXRC-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