General Information of the Compound
Compound ID
CP0930329
Compound Name
N-(5,6-dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazol-3-ylidene)-furan-2-carboxamide
    Show/Hide
Formula
C9H7N3O2S2
Molecular Weight
253.308
Canonical SMILES
O=C(/N=C1\SSC2=NCCN21)c1ccco1
    Show/Hide
InChI
InChI=1S/C9H7N3O2S2/c13-7(6-2-1-5-14-6)11-9-12-4-3-10-8(12)15-16-9/h1-2,5H,3-4H2/b11-9-
    Show/Hide
InChIKey
QGLQDGIYNVSVBA-LUAWRHEFSA-N
Physicochemical Property
logP
1.8424
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
58.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
16

"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
ChEMBL ID
CHEMBL3718261
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: PT06269, G-protein coupled receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 110 nM
   TI
   LI
   LO
   TS
2
IC50 = 250 nM
   TI
   LI
   LO
   TS