General Information of the Compound
| Compound ID |
CP0562783
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[(3-chlorophenyl)methyl]-2-(4-methoxy-3-methylphenyl)-2,7-diazaspiro[4.4]nonan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25ClN2O2
|
||||||||||||||||||
| Molecular Weight |
384.907
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1C)N1CCC2(CCN(Cc3cccc(Cl)c3)C2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25ClN2O2/c1-16-12-19(6-7-20(16)27-2)25-11-9-22(21(25)26)8-10-24(15-22)14-17-4-3-5-18(23)13-17/h3-7,12-13H,8-11,14-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPTLOYBKZNTDPM-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