General Information of the Compound
| Compound ID |
CP0373243
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| Compound Name |
1-((R)-3-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-6-ylamino)pyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C16H22N6O5
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| Molecular Weight |
378.389
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| Canonical SMILES |
CC(=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/C16H22N6O5/c1-8(24)21-3-2-9(4-21)20-14-11-15(18-6-17-14)22(7-19-11)16-13(26)12(25)10(5-23)27-16/h6-7,9-10,12-13,16,23,25-26H,2-5H2,1H3,(H,17,18,20)/t9-,10-,12-,13-,16-/m1/s1
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| InChIKey |
IMYDGHDXBTZXOP-ZGOQAQPGSA-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