General Information of the Compound
| Compound ID |
CP0444809
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| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-2-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C24H25N7O5
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| Molecular Weight |
491.508
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| Canonical SMILES |
Nc1nc(N\N=C\c2cccc(OCc3ccccc3)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C24H25N7O5/c25-21-18-22(31(13-26-18)23-20(34)19(33)17(11-32)36-23)29-24(28-21)30-27-10-15-7-4-8-16(9-15)35-12-14-5-2-1-3-6-14/h1-10,13,17,19-20,23,32-34H,11-12H2,(H3,25,28,29,30)/b27-10+/t17-,19-,20-,23-/m1/s1
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| InChIKey |
PVQRGONOKPAAHU-VJRCLNGSSA-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