General Information of the Compound
| Compound ID |
CP0847457
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| Compound Name |
2-[1-(S)-Methyl-2-(4-methoxyphenyl)ethylamino]-5'-(2-ethyl-2H-tetrazol-5-yl)adenosine
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| Structure |
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| Formula |
C22H28N10O4
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| Molecular Weight |
496.532
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| Canonical SMILES |
CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@@H](C)Cc5ccc(OC)cc5)nc43)[C@H](O)[C@@H]2O)n1
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| InChI |
InChI=1S/C22H28N10O4/c1-4-32-29-19(28-30-32)17-15(33)16(34)21(36-17)31-10-24-14-18(23)26-22(27-20(14)31)25-11(2)9-12-5-7-13(35-3)8-6-12/h5-8,10-11,15-17,21,33-34H,4,9H2,1-3H3,(H3,23,25,26,27)/t11-,15-,16+,17-,21+/m0/s1
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| InChIKey |
WOKSHSWUKATBJD-NRULZZDXSA-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