General Information of the Compound
| Compound ID |
CP0379022
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| Compound Name |
(2R,3R,4S)-2-(2-chloro-6-(methylamino)-9H-purin-9-yl)-tetrahydrothiophene-3,4-diol
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| Structure |
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| Formula |
C10H12ClN5O2S
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| Molecular Weight |
301.759
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| Canonical SMILES |
CNc1nc(Cl)nc2n(cnc12)[C@@H]1SC[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C10H12ClN5O2S/c1-12-7-5-8(15-10(11)14-7)16(3-13-5)9-6(18)4(17)2-19-9/h3-4,6,9,17-18H,2H2,1H3,(H,12,14,15)/t4-,6-,9-/m1/s1
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| InChIKey |
ANLGHWMSNKUOET-NVMQTXNBSA-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