General Information of the Compound
| Compound ID |
CP0405281
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| Compound Name |
(R)-tert-butyl 3-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-6-ylamino)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C19H28N6O6
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| Molecular Weight |
436.469
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC[C@H](C1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H28N6O6/c1-19(2,3)31-18(29)24-5-4-10(6-24)23-15-12-16(21-8-20-15)25(9-22-12)17-14(28)13(27)11(7-26)30-17/h8-11,13-14,17,26-28H,4-7H2,1-3H3,(H,20,21,23)/t10-,11-,13-,14-,17-/m1/s1
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| InChIKey |
OLSABNVWHCBXHI-RSUGUSAISA-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