General Information of the Compound
| Compound ID |
CP0437643
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-2-[5-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-1-methylpyrazol-3-yl]oxyacetamide
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| Structure |
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| Formula |
C25H28N6O6
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| Molecular Weight |
508.535
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| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
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| InChI |
InChI=1S/C25H28N6O6/c1-4-8-30-18-11-16(27-23(18)24(33)31(9-5-2)25(30)34)17-12-22(28-29(17)3)35-13-21(32)26-15-6-7-19-20(10-15)37-14-36-19/h6-7,10-12,27H,4-5,8-9,13-14H2,1-3H3,(H,26,32)
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| InChIKey |
LIDSLGCUDZIDST-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