General Information of the Compound
| Compound ID |
CP0539905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501411, Example 220
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27ClN2O4
|
||||||||||||||||||
| Molecular Weight |
418.921
|
||||||||||||||||||
| Canonical SMILES |
CC(CO)(CCl)COc1ccc(cc1)C(=O)Nc1ccc(cc1)C1CNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27ClN2O4/c1-22(13-23,14-26)15-29-19-8-4-17(5-9-19)21(27)25-18-6-2-16(3-7-18)20-12-24-10-11-28-20/h2-9,20,24,26H,10-15H2,1H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMOKRDCTGOJMRC-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