General Information of the Compound
| Compound ID |
CP0569564
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8778932, 9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H11ClF3N3O2S
|
||||||||||||||||||
| Molecular Weight |
449.841
|
||||||||||||||||||
| Canonical SMILES |
CC1=NN=C(c2sc3cccc(c3c2Cl)C(F)(F)F)c2cc3oc(=O)[nH]c3cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H11ClF3N3O2S/c1-8-5-9-6-12-13(29-19(28)25-12)7-10(9)17(27-26-8)18-16(21)15-11(20(22,23)24)3-2-4-14(15)30-18/h2-4,6-7H,5H2,1H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJXYNDZTPLEDDI-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