General Information of the Compound
| Compound ID |
CP0456163
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| Compound Name |
7-hydroxy-1-methyl-6-(4-(methylsulfonyl)phenyl)-3-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C17H19N3O5S
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| Molecular Weight |
377.422
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| Canonical SMILES |
CCCn1c(=O)n(C)c2c(O)c([nH]c2c1=O)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C17H19N3O5S/c1-4-9-20-16(22)13-14(19(2)17(20)23)15(21)12(18-13)10-5-7-11(8-6-10)26(3,24)25/h5-8,18,21H,4,9H2,1-3H3
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| InChIKey |
KUPQOGCWMSZCTA-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