General Information of the Compound
Compound ID |
CP0413259
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US10501411, Example 211
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C26H26N2O5
|
||||||||||||||||||
Molecular Weight |
446.503
|
||||||||||||||||||
Canonical SMILES |
COC(=O)c1ccc(COc2ccc(cc2)C(=O)Nc2ccc(cc2)C2CNCCO2)cc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C26H26N2O5/c1-31-26(30)21-4-2-18(3-5-21)17-33-23-12-8-20(9-13-23)25(29)28-22-10-6-19(7-11-22)24-16-27-14-15-32-24/h2-13,24,27H,14-17H2,1H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
InChIKey |
BWCYBKOHQWMMEA-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1