General Information of the Compound
| Compound ID |
CP0448655
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| Compound Name |
2-[(2R,3R,4S)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
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| Structure |
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| Formula |
C19H20ClIN6O4
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| Molecular Weight |
558.764
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| Canonical SMILES |
CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
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| InChI |
InChI=1S/C19H20ClIN6O4/c1-22-12(28)6-11-14(29)15(30)18(31-11)27-8-24-13-16(25-19(20)26-17(13)27)23-7-9-3-2-4-10(21)5-9/h2-5,8,11,14-15,18,29-30H,6-7H2,1H3,(H,22,28)(H,23,25,26)/t11-,14+,15+,18?/m1/s1
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| InChIKey |
YCCZBVUOQQIEIT-QKJLKCBVSA-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