General Information of the Compound
| Compound ID |
CP0516916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501411, Example 141
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16F3N3O2
|
||||||||||||||||||
| Molecular Weight |
351.328
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(nc1)C(=O)Nc1ccc(cc1)C1CNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-6-14(22-9-12)16(24)23-13-4-1-11(2-5-13)15-10-21-7-8-25-15/h1-6,9,15,21H,7-8,10H2,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJIVFLXPWICPCM-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