General Information of the Compound
| Compound ID |
CP0422939
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| Compound Name |
methyl 5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxopyrimidin-1-yl]pentanoate
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| Structure |
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| Formula |
C20H26N2O4S
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| Molecular Weight |
390.505
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| Canonical SMILES |
CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)OC)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C20H26N2O4S/c1-5-16-18(24)21-20(25)22(9-7-6-8-17(23)26-4)19(16)27-15-11-13(2)10-14(3)12-15/h10-12H,5-9H2,1-4H3,(H,21,24,25)
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| InChIKey |
IIQFZHAETGKTMI-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