General Information of the Compound
| Compound ID |
CP0443850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802673, 12
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18N4O2
|
||||||||||||||||||
| Molecular Weight |
286.335
|
||||||||||||||||||
| Canonical SMILES |
COc1cnc(Nc2ccc(cc2)[C@H]2CNCCO2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18N4O2/c1-20-13-8-17-15(18-9-13)19-12-4-2-11(3-5-12)14-10-16-6-7-21-14/h2-5,8-9,14,16H,6-7,10H2,1H3,(H,17,18,19)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPMGLZCAOWULDV-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: PT06968, Trace amine-associated receptor 7b