General Information of the Compound
| Compound ID |
CP0720635
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| Compound Name |
2-{6-Amino-2-[N'-(3-methyl-butylidene)-hydrazino]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C15H23N7O4
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| Molecular Weight |
365.394
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| Canonical SMILES |
CC(C)C/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C15H23N7O4/c1-7(2)3-4-18-21-15-19-12(16)9-13(20-15)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h4,6-8,10-11,14,23-25H,3,5H2,1-2H3,(H3,16,19,20,21)/b18-4+/t8-,10-,11-,14-/m1/s1
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| InChIKey |
XXRIESUTDBVRGJ-IDVJSUKHSA-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: PT01279, Adenosine receptor A3