General Information of the Compound
| Compound ID |
CP0870348
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| Compound Name |
7-methyl-3-propyl-1-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]purine-2,4(3H,8H)-dione hydrochloride
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| Structure |
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| Formula |
C17H19ClN6O2
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| Molecular Weight |
374.832
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| Canonical SMILES |
CCCn1c(=O)c2c(nc3[nH]c(C)cn32)n(Cc2ccncc2)c1=O.Cl
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| InChI |
InChI=1S/C17H18N6O2.ClH/c1-3-8-21-15(24)13-14(20-16-19-11(2)9-22(13)16)23(17(21)25)10-12-4-6-18-7-5-12;/h4-7,9H,3,8,10H2,1-2H3,(H,19,20);1H
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| InChIKey |
CGPDDBVQKRLDKE-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