General Information of the Compound
| Compound ID |
CP0460955
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| Compound Name |
1,3-dimethyl-9-(thiophen-2-ylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C15H17N5O2S
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| Molecular Weight |
331.401
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| Canonical SMILES |
Cn1c2nc3N(Cc4cccs4)CCCn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C15H17N5O2S/c1-17-12-11(13(21)18(2)15(17)22)20-7-4-6-19(14(20)16-12)9-10-5-3-8-23-10/h3,5,8H,4,6-7,9H2,1-2H3
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| InChIKey |
UOHXUNGICXZGJT-UHFFFAOYSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3