General Information of the Compound
| Compound ID |
CP0440939
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| Compound Name |
2-[3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-5-methylpyrazol-1-yl]-N-naphthalen-1-ylacetamide
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| Structure |
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| Formula |
C27H29N7O3
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| Molecular Weight |
499.575
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)n(CC(=O)Nc2cccc3ccccc23)n1
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| InChI |
InChI=1S/C27H29N7O3/c1-4-13-32-25-23(26(36)33(14-5-2)27(32)37)29-24(30-25)21-15-17(3)34(31-21)16-22(35)28-20-12-8-10-18-9-6-7-11-19(18)20/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,35)(H,29,30)
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| InChIKey |
FGNXIPSEQZXSOB-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