General Information of the Compound
| Compound ID |
CP0433746
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| Compound Name |
1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-6-((R)-tetrahydrofuran-2-ylamino)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C19H24N8O6
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| Molecular Weight |
460.451
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| Canonical SMILES |
CNC(=O)c1cnn(c1)-c1nc(N[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C19H24N8O6/c1-20-17(31)9-5-22-27(6-9)19-24-15(23-11-3-2-4-32-11)12-16(25-19)26(8-21-12)18-14(30)13(29)10(7-28)33-18/h5-6,8,10-11,13-14,18,28-30H,2-4,7H2,1H3,(H,20,31)(H,23,24,25)/t10-,11-,13-,14-,18-/m1/s1
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| InChIKey |
LCYKPFSTUQZFII-GBUDDTMKSA-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
Protein ID: PT01279, Adenosine receptor A3