General Information of the Compound
| Compound ID |
CP0505460
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| Compound Name |
2-acetyl-4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylicacid ethyl ester
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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)N(C1c1cccc(O)c1)C(C)=O
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| InChI |
InChI=1S/C16H18N2O4S/c1-4-22-15(21)13-9(2)17-16(23)18(10(3)19)14(13)11-6-5-7-12(20)8-11/h5-8,14,20H,4H2,1-3H3,(H,17,23)
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| InChIKey |
OMSRYHNFLGTMAD-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