General Information of the Compound
| Compound ID |
CP0431032
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| Compound Name |
[(2R,3S,4R)-5-(1,3-dibutyl-2,6-dioxopurin-7-yl)-3,4-dihydroxyoxolan-2-yl] acetate
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| Structure |
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| Formula |
C19H28N4O7
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| Molecular Weight |
424.454
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| Canonical SMILES |
CCCCn1c2ncn(C3O[C@H](OC(C)=O)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O
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| InChI |
InChI=1S/C19H28N4O7/c1-4-6-8-21-15-12(16(27)22(19(21)28)9-7-5-2)23(10-20-15)17-13(25)14(26)18(30-17)29-11(3)24/h10,13-14,17-18,25-26H,4-9H2,1-3H3/t13-,14+,17?,18+/m1/s1
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| InChIKey |
MRTZWLWZFJCUDS-JWISNHSZSA-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