General Information of the Compound
| Compound ID |
CP0390889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[9-[[2-(2-methylprop-2-enoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-4-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N3O2
|
||||||||||||||||||
| Molecular Weight |
419.569
|
||||||||||||||||||
| Canonical SMILES |
CC(=C)COc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N3O2/c1-21(2)20-31-24-6-4-3-5-23(24)19-28-15-9-26(10-16-28)11-17-29(18-12-26)25(30)22-7-13-27-14-8-22/h3-8,13-14H,1,9-12,15-20H2,2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DHSWMQRDIKTONS-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