General Information of the Compound
| Compound ID |
CP0441571
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9029370, 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
400.841
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-n1cc(cn1)C(=O)Nc1ccc(cc1Cl)C1CNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18ClFN4O2/c21-17-9-13(19-11-23-7-8-28-19)1-6-18(17)25-20(27)14-10-24-26(12-14)16-4-2-15(22)3-5-16/h1-6,9-10,12,19,23H,7-8,11H2,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFFQUAOVCNLRED-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