General Information of the Compound
| Compound ID |
CP0886337
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| Compound Name |
(2S,3R,4R,E)-5-(2-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-2-methylhydrazono)pentane-1,2,3,4-tetraol
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| Structure |
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| Formula |
C16H25N7O8
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| Molecular Weight |
443.417
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| Canonical SMILES |
CN(/N=C/[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/C16H25N7O8/c1-22(19-2-6(26)10(28)7(27)3-24)16-20-13(17)9-14(21-16)23(5-18-9)15-12(30)11(29)8(4-25)31-15/h2,5-8,10-12,15,24-30H,3-4H2,1H3,(H2,17,20,21)/b19-2+/t6-,7+,8-,10-,11-,12-,15-/m1/s1
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| InChIKey |
UQPZPTPDHQUCFA-RUEBTFFISA-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