General Information of the Compound
| Compound ID |
CP0374074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-hydroxy-2-phenylethyl)-6-(4-oxospiro[1,2-dihydronaphthalene-3,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N4O3
|
||||||||||||||||||
| Molecular Weight |
456.546
|
||||||||||||||||||
| Canonical SMILES |
OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1C2=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N4O3/c32-23(20-7-2-1-3-8-20)18-28-26(34)22-10-11-24(30-29-22)31-16-14-27(15-17-31)13-12-19-6-4-5-9-21(19)25(27)33/h1-11,23,32H,12-18H2,(H,28,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQIFULLUVUVEGR-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