General Information of the Compound
Compound ID
CP0530192
Compound Name
5-amino-N,N-diethyl-1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
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Structure
Formula
C13H18N4O3S
Molecular Weight
310.379
Canonical SMILES
CCN(CC)C(=O)c1sc2n(C)c(=O)n(C)c(=O)c2c1N
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InChI
InChI=1S/C13H18N4O3S/c1-5-17(6-2)11(19)9-8(14)7-10(18)15(3)13(20)16(4)12(7)21-9/h5-6,14H2,1-4H3
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InChIKey
RZAVAIWIRNXQIY-UHFFFAOYSA-N
Physicochemical Property
logP
0.3629
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
90.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
21

"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: 155525800
ChEMBL ID
CHEMBL4457589
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: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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