General Information of the Compound
| Compound ID |
CP0847738
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| Compound Name |
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carbothioic acid ethylamide
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| Structure |
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| Formula |
C12H16N6O3S
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| Molecular Weight |
324.366
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| Canonical SMILES |
CCNC(=S)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C12H16N6O3S/c1-2-14-11(22)8-6(19)7(20)12(21-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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| InChIKey |
CZEWXDICHLHNGI-FLNNQWSLSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3