General Information of the Compound
| Compound ID |
CP0429671
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(benzo[d]thiazol-2-yl)-1-butyl-6-methylpyrimido[4,5-c]pyridazine-5,7(1H,6H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N6O2S
|
||||||||||||||||||
| Molecular Weight |
368.422
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N6O2S/c1-3-4-9-23-14-12(16(24)22(2)17(25)20-14)19-13(21-23)15-18-10-7-5-6-8-11(10)26-15/h5-8H,3-4,9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
REUQOCZUYLFNNL-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