General Information of the Compound
| Compound ID |
CP0230604
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,2-diphenyl-1,3-dioxolan-4-yl)-N-(2-phenoxyethyl)ethanamine;oxalic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29NO7
|
||||||||||||||||||
| Molecular Weight |
479.529
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(O)=O.C(COc1ccccc1)NCCC1COC(O1)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27NO3.C2H2O4/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)28-20-24(29-25)16-17-26-18-19-27-23-14-8-3-9-15-23;3-1(4)2(5)6/h1-15,24,26H,16-20H2;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGNBFDLCNBOBTA-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