General Information of the Compound
| Compound ID |
CP0907773
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| Compound Name |
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carbothioic acid cyclopropylamide
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| Structure |
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| Formula |
C13H16N6O3S
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| Molecular Weight |
336.377
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| Canonical SMILES |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=S)NC2CC2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C13H16N6O3S/c14-10-6-11(16-3-15-10)19(4-17-6)13-8(21)7(20)9(22-13)12(23)18-5-1-2-5/h3-5,7-9,13,20-21H,1-2H2,(H,18,23)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1
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| InChIKey |
VDMYFJSNWLHESM-QRIDJOKKSA-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