General Information of the Compound
| Compound ID |
CP0442711
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| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-(4-pyridin-2-yltriazol-1-yl)purin-9-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C18H19N9O4
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| Molecular Weight |
425.409
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| Canonical SMILES |
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(nn1)-c1ccccn1
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| InChI |
InChI=1S/C18H19N9O4/c1-19-15-12-16(26(8-21-12)17-14(30)13(29)11(7-28)31-17)23-18(22-15)27-6-10(24-25-27)9-4-2-3-5-20-9/h2-6,8,11,13-14,17,28-30H,7H2,1H3,(H,19,22,23)/t11-,13-,14-,17-/m1/s1
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| InChIKey |
BFNBQDWOBYWSKD-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: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3