General Information of the Compound
| Compound ID |
CP0496403
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| Compound Name |
(2S,3S,4R)-5-(1,3-dihexyl-2,6-dioxopurin-7-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
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| Structure |
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| Formula |
C23H37N5O6
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| Molecular Weight |
479.578
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| Canonical SMILES |
CCCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCCC)c1=O
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| InChI |
InChI=1S/C23H37N5O6/c1-4-6-8-10-12-26-19-15(21(32)27(23(26)33)13-11-9-7-5-2)28(14-25-19)22-17(30)16(29)18(34-22)20(31)24-3/h14,16-18,22,29-30H,4-13H2,1-3H3,(H,24,31)/t16-,17+,18-,22?/m0/s1
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| InChIKey |
JGOAVWGPNCDCCZ-OFRRTHGGSA-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