General Information of the Compound
| Compound ID |
CP0556615
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-6-(3,3,3-trifluoropropoxy)pyrido[3,2-c]pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18F5N5O3
|
||||||||||||||||||
| Molecular Weight |
531.441
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc2cc(ccc2n1)-n1nc2ccc(OCCC(F)(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18F5N5O3/c1-34-13-15-12-16(4-7-18(15)32-34)35-23(36)21(14-2-5-17(6-3-14)38-24(26)27)22-19(33-35)8-9-20(31-22)37-11-10-25(28,29)30/h2-9,12-13,24H,10-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLIMLCYEFLSPIL-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