General Information of the Compound
| Compound ID |
CP0427018
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| Compound Name |
(2R,3R,4S,5R)-2-(6-(cyclopentylamino)-2-(1H-pyrazol-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C18H23N7O4
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| Molecular Weight |
401.427
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)-n1cccn1
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| InChI |
InChI=1S/C18H23N7O4/c26-8-11-13(27)14(28)17(29-11)24-9-19-12-15(21-10-4-1-2-5-10)22-18(23-16(12)24)25-7-3-6-20-25/h3,6-7,9-11,13-14,17,26-28H,1-2,4-5,8H2,(H,21,22,23)/t11-,13-,14-,17-/m1/s1
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| InChIKey |
GCCHNJBHBGZOBQ-LSCFUAHRSA-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