General Information of the Compound
| Compound ID |
CP0886338
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| Compound Name |
(2R,3S,4R,5S,E)-6-(2-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-2-methylhydrazono)hexane-1,2,3,4,5-pentaol
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| Structure |
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| Formula |
C17H27N7O9
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| Molecular Weight |
473.443
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| Canonical SMILES |
CN(/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C17H27N7O9/c1-23(20-2-6(27)10(29)11(30)7(28)3-25)17-21-14(18)9-15(22-17)24(5-19-9)16-13(32)12(31)8(4-26)33-16/h2,5-8,10-13,16,25-32H,3-4H2,1H3,(H2,18,21,22)/b20-2+/t6-,7+,8+,10+,11-,12+,13+,16+/m0/s1
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| InChIKey |
MTRJNDCBTMBPQS-PHHVLQSPSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3