General Information of the Compound
| Compound ID |
CP0553385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9029370, 9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
350.781
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(ccc1NC(=O)Nc1ccc(Cl)nc1)[C@H]1CNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16ClFN4O2/c17-15-4-2-11(8-20-15)21-16(23)22-13-3-1-10(7-12(13)18)14-9-19-5-6-24-14/h1-4,7-8,14,19H,5-6,9H2,(H2,21,22,23)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQNLPHPXFUGBHE-CQSZACIVSA-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