General Information of the Compound
| Compound ID |
CP0449107
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| Compound Name |
2-chloro-2'-C-methyl-tecadenoson
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| Synonyms |
2-chloro-2''-C-methyl-tecadenoson
2-chloro-2'-C-methyl-tecadenoson
CHEMBL400782
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| Structure |
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| Formula |
C15H20ClN5O5
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| Molecular Weight |
385.808
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| Canonical SMILES |
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc12
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| InChI |
InChI=1S/C15H20ClN5O5/c1-15(24)10(23)8(4-22)26-13(15)21-6-17-9-11(18-7-2-3-25-5-7)19-14(16)20-12(9)21/h6-8,10,13,22-24H,2-5H2,1H3,(H,18,19,20)/t7-,8-,10-,13-,15-/m1/s1
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| InChIKey |
PKAKDOUFCOQHOJ-RAPCHXAISA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound