General Information of the Compound
| Compound ID |
CP0845658
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| Compound Name |
1-(6-Amino-purin-9-yl)-4-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol
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| Structure |
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| Formula |
C12H15N5O3
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| Molecular Weight |
277.284
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| Canonical SMILES |
Nc1ncnc2c1ncn2[C@@]12C[C@H]1[C@H](CO)[C@@H](O)[C@H]2O
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| InChI |
InChI=1S/C12H15N5O3/c13-10-7-11(15-3-14-10)17(4-16-7)12-1-6(12)5(2-18)8(19)9(12)20/h3-6,8-9,18-20H,1-2H2,(H2,13,14,15)/t5-,6-,8+,9+,12-/m0/s1
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| InChIKey |
PNZMMPDHUWWITO-CEQXEPLDSA-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