General Information of the Compound
| Compound ID |
CP0435310
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzyl-1,9-diphenylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H19N5O
|
||||||||||||||||||
| Molecular Weight |
429.483
|
||||||||||||||||||
| Canonical SMILES |
O=c1n(Cc2ccccc2)nc(-c2ccccc2)c2c3cc(nn3cnc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H19N5O/c33-27-26-24(23-16-22(29-32(23)18-28-26)20-12-6-2-7-13-20)25(21-14-8-3-9-15-21)30-31(27)17-19-10-4-1-5-11-19/h1-16,18H,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLXMHMZZNVUFPP-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