General Information of the Compound
| Compound ID |
CP0536665
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| Compound Name |
tert-butyl 2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C15H15F3N4O4
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| Molecular Weight |
372.303
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| Canonical SMILES |
CC1=CC(=O)N(Nc2ncc(C(=O)OC(C)(C)C)c(n2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C15H15F3N4O4/c1-7-5-9(23)22(11(7)24)21-13-19-6-8(10(20-13)15(16,17)18)12(25)26-14(2,3)4/h5-6H,1-4H3,(H,19,20,21)
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| InChIKey |
AEJBRRNNGUXYFJ-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