General Information of the Compound
| Compound ID |
CP0853472
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| Compound Name |
2-(6-Amino-2-iodo-purin-9-yl)-5-propylsulfanylmethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C13H18IN5O3S
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| Molecular Weight |
451.29
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| Canonical SMILES |
CCCSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C13H18IN5O3S/c1-2-3-23-4-6-8(20)9(21)12(22-6)19-5-16-7-10(15)17-13(14)18-11(7)19/h5-6,8-9,12,20-21H,2-4H2,1H3,(H2,15,17,18)/t6-,8-,9-,12-/m1/s1
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| InChIKey |
OXOLOZZNYOBFBQ-WOUKDFQISA-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