General Information of the Compound
| Compound ID |
CP0230606
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2,2-diphenyl-1,3-dioxan-5-yl)methyl]-2-(2-methoxyphenoxy)ethanamine;oxalic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31NO8
|
||||||||||||||||||
| Molecular Weight |
509.555
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(O)=O.COc1ccccc1OCCNCC1COC(OC1)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29NO4.C2H2O4/c1-28-24-14-8-9-15-25(24)29-17-16-27-18-21-19-30-26(31-20-21,22-10-4-2-5-11-22)23-12-6-3-7-13-23;3-1(4)2(5)6/h2-15,21,27H,16-20H2,1H3;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRDMUTPPUQEEPQ-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor