General Information of the Compound
| Compound ID |
CP0487495
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,3-benzothiazol-6-yl)-6-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]pyrido[3,2-c]pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H14F4N4O3S
|
||||||||||||||||||
| Molecular Weight |
502.449
|
||||||||||||||||||
| Canonical SMILES |
FC(F)COc1ccc2nn(-c3ccc4ncsc4c3)c(=O)c(-c3ccc(OC(F)F)cc3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H14F4N4O3S/c24-18(25)10-33-19-8-7-16-21(29-19)20(12-1-4-14(5-2-12)34-23(26)27)22(32)31(30-16)13-3-6-15-17(9-13)35-11-28-15/h1-9,11,18,23H,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQIGXCZYULOKHV-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