General Information of the Compound
| Compound ID |
CP0869224
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| Compound Name |
2-[1-(R)-Methyl-2-phenylethylamino]-5'-(2-ethyl-2H-tetrazol-5-yl)adenosine
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| Structure |
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| Formula |
C21H26N10O3
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| Molecular Weight |
466.506
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| Canonical SMILES |
CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1
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| InChI |
InChI=1S/C21H26N10O3/c1-3-31-28-18(27-29-31)16-14(32)15(33)20(34-16)30-10-23-13-17(22)25-21(26-19(13)30)24-11(2)9-12-7-5-4-6-8-12/h4-8,10-11,14-16,20,32-33H,3,9H2,1-2H3,(H3,22,24,25,26)/t11-,14+,15-,16+,20-/m1/s1
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| InChIKey |
QNCPQBFIQUQVFE-LMNWYZMXSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3