General Information of the Compound
| Compound ID |
CP0003569
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| Compound Name |
4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino)-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C13H11F3N4O4
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| Molecular Weight |
344.249
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| Canonical SMILES |
CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)C(F)(F)F
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| InChI |
InChI=1S/C13H11F3N4O4/c1-3-24-11(23)7-5-17-12(13(14,15)16)18-9(7)19-20-8(21)4-6(2)10(20)22/h4-5H,3H2,1-2H3,(H,17,18,19)
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| InChIKey |
JWIIKHRJOUQCQG-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