General Information of the Compound
| Compound ID |
CP0869547
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| Compound Name |
2-(6-Amino-2-iodo-purin-9-yl)-5-ethylsulfanylmethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C12H16IN5O3S
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| Molecular Weight |
437.263
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| Canonical SMILES |
CCSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C12H16IN5O3S/c1-2-22-3-5-7(19)8(20)11(21-5)18-4-15-6-9(14)16-12(13)17-10(6)18/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,14,16,17)/t5-,7-,8-,11-/m1/s1
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| InChIKey |
KNTRGNQLWHTVLA-IOSLPCCCSA-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