General Information of the Compound
Compound ID
CP0157883
Compound Name
3-Cyclopropyl-9-dimethylamino-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one
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Structure
Formula
C14H14N4OS
Molecular Weight
286.36
Canonical SMILES
CN(C)c1ccnc2sc3c(ncn(C4CC4)c3=O)c12
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InChI
InChI=1S/C14H14N4OS/c1-17(2)9-5-6-15-13-10(9)11-12(20-13)14(19)18(7-16-11)8-3-4-8/h5-8H,3-4H2,1-2H3
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InChIKey
JPVQCDSYIVAGIU-UHFFFAOYSA-N
Physicochemical Property
logP
2.4071
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
51.02
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
20

"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).

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PubChem ID
CID: 11565466
SID: 16667727
ChEMBL ID
CHEMBL224135
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: PT01994, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 = 632 nM
   TI
   LI
   LO
   TS
Protein ID: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS