General Information of the Compound
| Compound ID |
CP0424919
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| Compound Name |
N-[[(2S,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-3-yl]methyl]acetamide
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| Structure |
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| Formula |
C20H23IN6O4
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| Molecular Weight |
538.346
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| Canonical SMILES |
CC(=O)NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
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| InChI |
InChI=1S/C20H23IN6O4/c1-11(29)22-7-14-15(8-28)31-20(17(14)30)27-10-26-16-18(24-9-25-19(16)27)23-6-12-3-2-4-13(21)5-12/h2-5,9-10,14-15,17,20,28,30H,6-8H2,1H3,(H,22,29)(H,23,24,25)/t14-,15-,17-,20-/m1/s1
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| InChIKey |
OSENSEKVJGLPRN-MXHNKVEKSA-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