General Information of the Compound
| Compound ID |
CP0426431
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| Compound Name |
3-methyl-8-(3-phenylpropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione
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| Structure |
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| Formula |
C18H20N4O2S
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| Molecular Weight |
356.451
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| Canonical SMILES |
Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O
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| InChI |
InChI=1S/C18H20N4O2S/c1-3-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-7-10-13-8-5-4-6-9-13/h3-6,8-9H,1,7,10-12H2,2H3,(H,20,23,24)
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| InChIKey |
BYDCIBXURIFARK-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