General Information of the Compound
| Compound ID |
CP0490176
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| Compound Name |
propan-2-yl 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 |
C13H13F3N2O3S
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| Molecular Weight |
334.319
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| Canonical SMILES |
CC(C)OC(=O)C1=C(NC(=O)NC1c1ccsc1)C(F)(F)F
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| InChI |
InChI=1S/C13H13F3N2O3S/c1-6(2)21-11(19)8-9(7-3-4-22-5-7)17-12(20)18-10(8)13(14,15)16/h3-6,9H,1-2H3,(H2,17,18,20)
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| InChIKey |
FFVZZOSGJLYAOK-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