General Information of the Compound
| Compound ID |
CP0095112
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8604061, 364
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H13ClN2O
|
||||||||||||||||||
| Molecular Weight |
224.691
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(Cl)ccc1[C@H]1COC(N)=N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H13ClN2O/c1-2-7-5-8(12)3-4-9(7)10-6-15-11(13)14-10/h3-5,10H,2,6H2,1H3,(H2,13,14)/t10-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMJCJXYDQQSDCX-SNVBAGLBSA-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: PT04763, Trace amine-associated receptor 1