General Information of the Compound
| Compound ID |
CP0490178
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| Compound Name |
ethyl 2-oxo-4-thiophen-3-yl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C12H11F3N2O3S
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| Molecular Weight |
320.292
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| Canonical SMILES |
CCOC(=O)C1=C(NC(=O)NC1c1ccsc1)C(F)(F)F
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| InChI |
InChI=1S/C12H11F3N2O3S/c1-2-20-10(18)7-8(6-3-4-21-5-6)16-11(19)17-9(7)12(13,14)15/h3-5,8H,2H2,1H3,(H2,16,17,19)
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| InChIKey |
OQOPTLFZTNULIZ-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