General Information of the Compound
| Compound ID |
CP0511516
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| Compound Name |
(2S,3S,4R)-5-(1,3-dibutyl-2,6-dioxopurin-7-yl)-3,4-dihydroxyoxolane-2-carboxamide
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| Structure |
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| Formula |
C18H27N5O6
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| Molecular Weight |
409.443
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| Canonical SMILES |
CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O
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| InChI |
InChI=1S/C18H27N5O6/c1-3-5-7-21-15-10(16(27)22(18(21)28)8-6-4-2)23(9-20-15)17-12(25)11(24)13(29-17)14(19)26/h9,11-13,17,24-25H,3-8H2,1-2H3,(H2,19,26)/t11-,12+,13-,17?/m0/s1
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| InChIKey |
QXCRTFQQXBWPNI-BORQHUKESA-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