General Information of the Compound
| Compound ID |
CP0886321
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| Compound Name |
(E)-3-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid
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| Structure |
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| Formula |
C16H22N4O4
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| Molecular Weight |
334.376
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| Canonical SMILES |
CCCCn1c(=O)c2nc(/C=C/C(=O)O)[nH]c2n(CCCC)c1=O
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| InChI |
InChI=1S/C16H22N4O4/c1-3-5-9-19-14-13(17-11(18-14)7-8-12(21)22)15(23)20(16(19)24)10-6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,17,18)(H,21,22)/b8-7+
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| InChIKey |
ZWYGMFUZAACFIF-BQYQJAHWSA-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