General Information of the Compound
| Compound ID |
CP0865216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9181230, 40
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17F2N3O
|
||||||||||||||||||
| Molecular Weight |
341.361
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(-c2cc(-c3ccc([C@H]4CNCCO4)cc3F)n[nH]2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17F2N3O/c20-14-4-1-12(2-5-14)17-10-18(24-23-17)15-6-3-13(9-16(15)21)19-11-22-7-8-25-19/h1-6,9-10,19,22H,7-8,11H2,(H,23,24)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOXYUGSMSNMNNS-LJQANCHMSA-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