General Information of the Compound
| Compound ID |
CP0878828
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| Compound Name |
(2R,3R,4S,5S)-2-(6-amino-2-iodo-9H-purin-9-yl)-5-(methylthiomethyl)tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C11H14IN5O3S
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| Molecular Weight |
423.236
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| Canonical SMILES |
CSC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C11H14IN5O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(13)15-11(12)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16)/t4-,6-,7-,10-/m1/s1
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| InChIKey |
PAXFOAXYSPIKAQ-KQYNXXCUSA-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