General Information of the Compound
| Compound ID |
CP0856068
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| Compound Name |
2-[6-(3-Iodo-benzylamino)-purin-9-yl]-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C18H20IN5O3S
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| Molecular Weight |
513.361
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| Canonical SMILES |
CSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C18H20IN5O3S/c1-28-7-12-14(25)15(26)18(27-12)24-9-23-13-16(21-8-22-17(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14-15,18,25-26H,6-7H2,1H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
JBMSQHIEOLTFNX-SCFUHWHPSA-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