General Information of the Compound
| Compound ID |
CP0868681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9181230, 47
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H14ClN3O
|
||||||||||||||||||
| Molecular Weight |
287.75
|
||||||||||||||||||
| Canonical SMILES |
Clc1cnc2[nH]c3ccc([C@H]4CNCCO4)cc3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H14ClN3O/c16-10-6-12-11-5-9(14-8-17-3-4-20-14)1-2-13(11)19-15(12)18-7-10/h1-2,5-7,14,17H,3-4,8H2,(H,18,19)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNBQZIWWZHDINZ-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: PT03501, Trace amine-associated receptor 1