General Information of the Compound
| Compound ID |
CP0562030
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin-6-yl)-1-methyl-1H- pyrazol-5-yl)-2-naphthonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18N6O
|
||||||||||||||||||
| Molecular Weight |
406.449
|
||||||||||||||||||
| Canonical SMILES |
Cn1ncc(c1-c1cc2ccccc2cc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18N6O/c1-30-23(19-9-15-5-3-2-4-14(15)8-17(19)11-25)21(13-27-30)16-6-7-18-20(10-16)22(12-26)28-29-24(18)31/h2-10,13H,12,26H2,1H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKWWHUGCYBIFCE-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 | |||||||||||||||||||
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