General Information of the Compound
| Compound ID |
CP0427357
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| Compound Name |
methyl 2-[[5-ethyl-4-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate
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| Structure |
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| Formula |
C20H20N2O3S
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| Molecular Weight |
368.458
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| Canonical SMILES |
CCc1c(Cc2cccc3ccccc23)nc(SCC(=O)OC)[nH]c1=O
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| InChI |
InChI=1S/C20H20N2O3S/c1-3-15-17(21-20(22-19(15)24)26-12-18(23)25-2)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10H,3,11-12H2,1-2H3,(H,21,22,24)
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| InChIKey |
JIQNBQKMDYVUOD-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