General Information of the Compound
| Compound ID |
CP0393758
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| Compound Name |
(2S,3S,4R,5R)-5-[6-(cyclobutylamino)purin-9-yl]-3,4-dihydroxy-N-methylselenolane-2-carboxamide
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| Structure |
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| Formula |
C15H20N6O3Se
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| Molecular Weight |
411.324
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| Canonical SMILES |
CNC(=O)[C@H]1[Se][C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ncnc12
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| InChI |
InChI=1S/C15H20N6O3Se/c1-16-14(24)11-9(22)10(23)15(25-11)21-6-19-8-12(17-5-18-13(8)21)20-7-3-2-4-7/h5-7,9-11,15,22-23H,2-4H2,1H3,(H,16,24)(H,17,18,20)/t9-,10+,11-,15+/m0/s1
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| InChIKey |
WNNFYDRVCWXDAW-BQVMBELUSA-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
Protein ID: PT01279, Adenosine receptor A3