General Information of the Compound
| Compound ID |
CP0774802
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| Compound Name |
2-Ethoxymethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C19H22IN5O4
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| Molecular Weight |
511.32
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| Canonical SMILES |
CCOC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C19H22IN5O4/c1-2-28-8-13-15(26)16(27)19(29-13)25-10-24-14-17(22-9-23-18(14)25)21-7-11-4-3-5-12(20)6-11/h3-6,9-10,13,15-16,19,26-27H,2,7-8H2,1H3,(H,21,22,23)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
LETCMYXPSWWGKO-NVQRDWNXSA-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