General Information of the Compound
| Compound ID |
CP0343761
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
oxalic acid;1-[5-(4-phenylphenoxy)pentyl]azepane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33NO5
|
||||||||||||||||||
| Molecular Weight |
427.541
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(O)=O.C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31NO.C2H2O4/c1-2-8-18-24(17-7-1)19-9-4-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21;3-1(4)2(5)6/h3,5-6,11-16H,1-2,4,7-10,17-20H2;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBGUKBYLZRTUDN-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2