General Information of the Compound
| Compound ID |
CP0524187
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| Compound Name |
(2S,3S,4R)-5-(2,6-dioxo-1,3-dipentylpurin-7-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
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| Structure |
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| Formula |
C21H33N5O6
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| Molecular Weight |
451.524
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| Canonical SMILES |
CCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCC)c1=O
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| InChI |
InChI=1S/C21H33N5O6/c1-4-6-8-10-24-17-13(19(30)25(21(24)31)11-9-7-5-2)26(12-23-17)20-15(28)14(27)16(32-20)18(29)22-3/h12,14-16,20,27-28H,4-11H2,1-3H3,(H,22,29)/t14-,15+,16-,20?/m0/s1
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| InChIKey |
UVSJCAZXTSJNKM-BITNSZHFSA-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