General Information of the Compound
| Compound ID |
CP0500335
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802673, 44
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N2O
|
||||||||||||||||||
| Molecular Weight |
304.393
|
||||||||||||||||||
| Canonical SMILES |
C1CO[C@H](CN1)c1ccc(Nc2ccc3ccccc3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N2O/c1-2-4-17-13-19(10-5-15(17)3-1)22-18-8-6-16(7-9-18)20-14-21-11-12-23-20/h1-10,13,20-22H,11-12,14H2/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZSUIFSWQMBTBW-HXUWFJFHSA-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: PT06968, Trace amine-associated receptor 7b