General Information of the Compound
| Compound ID |
CP0434871
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| Compound Name |
4-(7-hydroxy-2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)benzoic acid
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| Structure |
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| Formula |
C19H21N3O5
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| Molecular Weight |
371.393
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| Canonical SMILES |
CCCn1c2c(O)c([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C19H21N3O5/c1-3-9-21-15-14(17(24)22(10-4-2)19(21)27)20-13(16(15)23)11-5-7-12(8-6-11)18(25)26/h5-8,20,23H,3-4,9-10H2,1-2H3,(H,25,26)
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| InChIKey |
UIZNDBWZKQAOFG-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