General Information of the Compound
| Compound ID |
CP0541691
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| Compound Name |
ethyl 3-acetyl-4-(3-acetyloxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C18H20N2O5S
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| Molecular Weight |
376.434
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(=S)N(C1c1cccc(OC(C)=O)c1)C(C)=O
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| InChI |
InChI=1S/C18H20N2O5S/c1-5-24-17(23)15-10(2)19-18(26)20(11(3)21)16(15)13-7-6-8-14(9-13)25-12(4)22/h6-9,16H,5H2,1-4H3,(H,19,26)
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| InChIKey |
OMQWSIPEJWZALV-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