General Information of the Compound
| Compound ID |
CP0413264
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9416127, 33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19F2N5O2
|
||||||||||||||||||
| Molecular Weight |
399.401
|
||||||||||||||||||
| Canonical SMILES |
FC(F)Oc1ccc(cc1)-n1cc(nn1)C(=O)Nc1ccc(cc1)C1CCNC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19F2N5O2/c21-20(22)29-17-7-5-16(6-8-17)27-12-18(25-26-27)19(28)24-15-3-1-13(2-4-15)14-9-10-23-11-14/h1-8,12,14,20,23H,9-11H2,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASSNHRVAIIIIMI-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