General Information of the Compound
| Compound ID |
CP0847459
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| Compound Name |
2-Dimethylamino 5'-(2-ethyl-2H-tetrazol-5-yl)adenosine
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| Structure |
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| Formula |
C14H20N10O3
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| Molecular Weight |
376.381
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| Canonical SMILES |
CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N(C)C)nc43)[C@H](O)[C@@H]2O)n1
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| InChI |
InChI=1S/C14H20N10O3/c1-4-24-20-11(19-21-24)9-7(25)8(26)13(27-9)23-5-16-6-10(15)17-14(22(2)3)18-12(6)23/h5,7-9,13,25-26H,4H2,1-3H3,(H2,15,17,18)/t7-,8+,9-,13+/m0/s1
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| InChIKey |
XACFFOLLZVHOCM-QRIDJOKKSA-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