General Information of the Compound
| Compound ID |
CP0467673
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| Compound Name |
4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-cyclohexanecarboxylic acid butylamide
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| Formula |
C22H35N5O3
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| Molecular Weight |
417.554
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| Canonical SMILES |
CCCCNC(=O)[C@H]1CC[C@@H](CC1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
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| InChI |
InChI=1S/C22H35N5O3/c1-4-7-12-23-20(28)16-10-8-15(9-11-16)18-24-17-19(25-18)26(13-5-2)22(30)27(14-6-3)21(17)29/h15-16H,4-14H2,1-3H3,(H,23,28)(H,24,25)/t15-,16-
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| InChIKey |
VNIAELPLZNPYDE-WKILWMFISA-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