General Information of the Compound
| Compound ID |
CP0550263
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802673, 49
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17F6N3O
|
||||||||||||||||||
| Molecular Weight |
441.375
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(Nc2ccc(cc2)[C@H]2CNCCO2)c2cccc(c2n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17F6N3O/c22-20(23,24)15-3-1-2-14-16(10-18(21(25,26)27)30-19(14)15)29-13-6-4-12(5-7-13)17-11-28-8-9-31-17/h1-7,10,17,28H,8-9,11H2,(H,29,30)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUYPOJVMIOXNIA-QGZVFWFLSA-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: PT06968, Trace amine-associated receptor 7b