General Information of the Compound
| Compound ID |
CP0534305
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| Compound Name |
(2R,3R,4S,5S)-2-[6-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]amino]purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C17H22ClN5O3
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| Molecular Weight |
379.848
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| Canonical SMILES |
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3C[C@H]4CC[C@@H]3C4)ncnc12
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| InChI |
InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8-,9+,10?,11+,13+,14+,17+/m0/s1
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| InChIKey |
PVJGDYDNVNCGBT-MIACGEQZSA-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: PT05020, Adenosine receptor A1
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT06256, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT05025, Adenosine receptor A3