General Information of the Compound
| Compound ID |
CP0918596
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| Compound Name |
4-(3-acetoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethylester
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| Structure |
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| Formula |
C16H18N2O4S
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| Molecular Weight |
334.397
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(OC(C)=O)c1
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| InChI |
InChI=1S/C16H18N2O4S/c1-4-21-15(20)13-9(2)17-16(23)18-14(13)11-6-5-7-12(8-11)22-10(3)19/h5-8,14H,4H2,1-3H3,(H2,17,18,23)
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| InChIKey |
UQOSFISDSBCWNJ-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