General Information of the Compound
| Compound ID |
CP0461004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2S,6R)-3,14-dioxatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),7,9,11,15,17-hexaen-4-yl]-N,N-dimethylmethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23NO2
|
||||||||||||||||||
| Molecular Weight |
309.409
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1OCc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23NO2/c1-21(2)12-15-11-18-16-8-4-3-7-14(16)13-22-19-10-6-5-9-17(19)20(18)23-15/h3-10,15,18,20H,11-13H2,1-2H3/t15?,18-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYRROKHYEJZYKQ-RMNMTYGKSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor