General Information of the Compound
| Compound ID |
CP0401547
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-(oxan-4-ylmethyl)indol-3-yl]-(3-tricyclo[3.3.1.03,7]nonanyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29NO2
|
||||||||||||||||||
| Molecular Weight |
363.501
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC1CC(C2)C3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29NO2/c26-23(24-12-17-9-18(13-24)11-19(24)10-17)21-15-25(14-16-5-7-27-8-6-16)22-4-2-1-3-20(21)22/h1-4,15-19H,5-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBROYFRREDXBEY-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