General Information of the Compound
| Compound ID |
CP0457504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-oxo-N-(3-phenyl-1H-pyrazol-5-yl)-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N4O3
|
||||||||||||||||||
| Molecular Weight |
388.427
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cc(n[nH]1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N4O3/c27-20-16-8-4-5-9-17(16)22(29-20)10-12-26(13-11-22)21(28)23-19-14-18(24-25-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,23,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORWUHTPSOLYUEA-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