General Information of the Compound
| Compound ID |
CP0460574
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| Compound Name |
8-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
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| Structure |
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| Formula |
C19H19ClN8O2
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| Molecular Weight |
426.868
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| Canonical SMILES |
Cn1c2nc3CN(Cc4cn(nn4)-c4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C19H19ClN8O2/c1-24-17-16(18(29)25(2)19(24)30)27-8-7-26(11-15(27)21-17)9-13-10-28(23-22-13)14-5-3-12(20)4-6-14/h3-6,10H,7-9,11H2,1-2H3
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| InChIKey |
YNMJTZXCMZOEOI-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3