General Information of the Compound
| Compound ID |
CP0555546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501411, Example 276
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N2O3
|
||||||||||||||||||
| Molecular Weight |
326.396
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N2O3/c1-2-23-17-9-5-15(6-10-17)19(22)21-16-7-3-14(4-8-16)18-13-20-11-12-24-18/h3-10,18,20H,2,11-13H2,1H3,(H,21,22)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJISGHWBWZAQLQ-GOSISDBHSA-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