General Information of the Compound
| Compound ID |
CP0529913
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| Compound Name |
3-Methyl-8-phenethylsulfanyl-7-propyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C17H20N4O2S
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| Molecular Weight |
344.44
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| Canonical SMILES |
CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
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| InChI |
InChI=1S/C17H20N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)
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| InChIKey |
SGNIXJCUFHSJEL-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