General Information of the Compound
| Compound ID |
CP0405858
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501411, Example 135
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21F2N3O
|
||||||||||||||||||
| Molecular Weight |
345.393
|
||||||||||||||||||
| Canonical SMILES |
Fc1cnc(C(=O)Nc2ccc(CCC3CCCNC3)cc2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21F2N3O/c20-15-10-17(21)18(23-12-15)19(25)24-16-7-5-13(6-8-16)3-4-14-2-1-9-22-11-14/h5-8,10,12,14,22H,1-4,9,11H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UGXNRQIVFRBHEO-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