General Information of the Compound
| Compound ID |
CP0563168
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10167273, Example 26
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18Cl2F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
472.316
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(c(nn1C)C(F)(F)F)S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18Cl2F3N3O3S/c1-10-15(16(17(20,21)22)23-24(10)2)29(26,27)25-7-5-12(6-8-25)28-14-4-3-11(18)9-13(14)19/h3-4,9,12H,5-8H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNKLXAPKUATLRT-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