General Information of the Compound
| Compound ID |
CP0511012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-1-yl-ethylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25NO
|
||||||||||||||||||
| Molecular Weight |
319.448
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(COCC(N)Cc2cccc3ccccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25NO/c1-16-10-17(2)12-18(11-16)14-24-15-21(23)13-20-8-5-7-19-6-3-4-9-22(19)20/h3-12,21H,13-15,23H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPIIEURLXPCWTN-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