General Information of the Compound
| Compound ID |
CP0257632
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-methoxyphenoxy)-1-[2-[(4-pyrazol-1-ylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N4O3
|
||||||||||||||||||
| Molecular Weight |
446.551
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OCC(=O)N2CCC3(CN(Cc4ccc(cc4)-n4cccn4)C3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N4O3/c1-32-23-7-9-24(10-8-23)33-18-25(31)29-15-11-26(12-16-29)19-28(20-26)17-21-3-5-22(6-4-21)30-14-2-13-27-30/h2-10,13-14H,11-12,15-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RJRLHHFDUWHJMV-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