General Information of the Compound
| Compound ID |
CP0545134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9416127, 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21N5O2
|
||||||||||||||||||
| Molecular Weight |
363.421
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(nc1C(=O)Nc1ccc(cc1)[C@H]1CNCCO1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N5O2/c1-14-19(24-25(23-14)17-5-3-2-4-6-17)20(26)22-16-9-7-15(8-10-16)18-13-21-11-12-27-18/h2-10,18,21H,11-13H2,1H3,(H,22,26)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMEFEDMLPJOXGG-GOSISDBHSA-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