General Information of the Compound
| Compound ID |
CP0459055
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-hydroxy-2-phenylethyl)-6-(1-oxospiro[4H-isochromene-3,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O4
|
||||||||||||||||||
| Molecular Weight |
458.518
|
||||||||||||||||||
| Canonical SMILES |
OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)Cc1ccccc1C(=O)O2)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O4/c31-22(18-6-2-1-3-7-18)17-27-24(32)21-10-11-23(29-28-21)30-14-12-26(13-15-30)16-19-8-4-5-9-20(19)25(33)34-26/h1-11,22,31H,12-17H2,(H,27,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCURKFDHURYYGR-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