General Information of the Compound
| Compound ID |
CP0431379
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| Compound Name |
(1-Benzyl-7-methyl-2,4-dioxo-1,2,4,8-tetrahydro-imidazo-[2,1-f]purin-3-yl)-acetic acid ethyl ester
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| Structure |
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| Formula |
C19H19N5O4
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| Molecular Weight |
381.392
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| Canonical SMILES |
CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
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| InChI |
InChI=1S/C19H19N5O4/c1-3-28-14(25)11-24-17(26)15-16(21-18-20-12(2)9-22(15)18)23(19(24)27)10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,20,21)
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| InChIKey |
DRLUVSBLMFMBQU-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3