General Information of the Compound
| Compound ID |
CP0471913
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| Compound Name |
3-methyl-8-(3-phenylpropylsulfanyl)-7-propan-2-yl-purine-2,6-dione
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| Structure |
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| Formula |
C18H22N4O2S
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| Molecular Weight |
358.467
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| Canonical SMILES |
CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
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| InChI |
InChI=1S/C18H22N4O2S/c1-12(2)22-14-15(21(3)17(24)20-16(14)23)19-18(22)25-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,23,24)
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| InChIKey |
UBRGEODVBHYTHJ-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