General Information of the Compound
| Compound ID |
CP0649601
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| Compound Name |
2-(ethylsulfonyl)ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C16H19N3O7S
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| Molecular Weight |
397.409
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| Canonical SMILES |
CCS(=O)(=O)CCOC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C16H19N3O7S/c1-3-27(24,25)9-8-26-15(20)13-10(2)17-16(21)18-14(13)11-4-6-12(7-5-11)19(22)23/h4-7,14H,3,8-9H2,1-2H3,(H2,17,18,21)
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| InChIKey |
XEGVPNGBPGPLCK-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