General Information of the Compound
| Compound ID |
CP0539232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9181230, 17
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16FN3O2
|
||||||||||||||||||
| Molecular Weight |
325.343
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)[C@H]1CNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16FN3O2/c19-15-7-5-14(6-8-15)18-22-21-17(24-18)13-3-1-12(2-4-13)16-11-20-9-10-23-16/h1-8,16,20H,9-11H2/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XAEVRSJPCGCSSH-MRXNPFEDSA-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