General Information of the Compound
| Compound ID |
CP0373241
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| Compound Name |
(2R,3R,4S,5R)-2-[6-(7-azabicyclo[2.2.1]heptan-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C16H22N6O4
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| Molecular Weight |
362.39
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3N4)ncnc12
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| InChI |
InChI=1S/C16H22N6O4/c23-4-10-12(24)13(25)16(26-10)22-6-19-11-14(17-5-18-15(11)22)21-9-3-7-1-2-8(9)20-7/h5-10,12-13,16,20,23-25H,1-4H2,(H,17,18,21)/t7?,8?,9?,10-,12-,13-,16-/m1/s1
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| InChIKey |
JRIDKZJMYUERAT-NNBIHLJJSA-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