General Information of the Compound
Compound ID
CP0549287
Compound Name
1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
    Show/Hide
Structure
Formula
C9H13NOS
Molecular Weight
183.276
Canonical SMILES
CNC[C@H]1OCCc2ccsc12
    Show/Hide
InChI
InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m1/s1
    Show/Hide
InChIKey
ABDDQTDRAHXHOC-MRVPVSSYSA-N
Physicochemical Property
logP
1.5813
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
12

"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
CID: 89532773
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: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 645 nM
   TI
   LI
   LO
   TS