General Information of the Compound
| Compound ID |
CP0500276
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| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]-2-nitropurin-9-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C17H17IN6O6
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| Molecular Weight |
528.263
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)[N+]([O-])=O
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| InChI |
InChI=1S/C17H17IN6O6/c18-9-3-1-2-8(4-9)5-19-14-11-15(22-17(21-14)24(28)29)23(7-20-11)16-13(27)12(26)10(6-25)30-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,19,21,22)/t10-,12-,13-,16-/m1/s1
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| InChIKey |
XWAJYBMMONGQBY-XNIJJKJLSA-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