General Information of the Compound
| Compound ID |
CP0772894
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| Compound Name |
2-Hydroxymethyl-5-[6-(3-iodo-benzylsulfanyl)-purin-9-yl]-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C17H17IN4O4S
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| Molecular Weight |
500.318
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| Canonical SMILES |
OC[C@H]1O[C@@H](n2cnc3c(SCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C17H17IN4O4S/c18-10-3-1-2-9(4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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| InChIKey |
DNFFPBMVRADOFN-LSCFUAHRSA-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