General Information of the Compound
| Compound ID |
CP0491893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501411, Example 89
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18F3N3O2
|
||||||||||||||||||
| Molecular Weight |
365.355
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)COc1ccc(cn1)C(=O)Nc1ccc(cc1)C1CCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18F3N3O2/c19-18(20,21)11-26-16-6-3-14(10-23-16)17(25)24-15-4-1-12(2-5-15)13-7-8-22-9-13/h1-6,10,13,22H,7-9,11H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJPOOLLLHUDQHY-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1