General Information of the Compound
| Compound ID |
CP0429843
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| Compound Name |
1-(2-ethylsulfanylethyl)-3,8-bis(furan-2-ylmethyl)-7H-purine-2,6-dione
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| Structure |
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| Formula |
C19H20N4O4S
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| Molecular Weight |
400.46
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| Canonical SMILES |
CCSCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccco3)[nH]c2c1=O
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| InChI |
InChI=1S/C19H20N4O4S/c1-2-28-10-7-22-18(24)16-17(21-15(20-16)11-13-5-3-8-26-13)23(19(22)25)12-14-6-4-9-27-14/h3-6,8-9H,2,7,10-12H2,1H3,(H,20,21)
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| InChIKey |
CTVGQBWNODPZEI-UHFFFAOYSA-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