General Information of the Compound
| Compound ID |
CP0386667
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501411, Example 93
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N3OS
|
||||||||||||||||||
| Molecular Weight |
323.421
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(cc1)C1CCNC1)c1nccc2ccsc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N3OS/c22-18(16-17-13(6-9-20-16)7-10-23-17)21-15-3-1-12(2-4-15)14-5-8-19-11-14/h1-4,6-7,9-10,14,19H,5,8,11H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOCICPWQGISBEZ-UHFFFAOYSA-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