General Information of the Compound
| Compound ID |
CP0542276
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| Compound Name |
N,3-diethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C19H26F3N3O4S
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| Molecular Weight |
449.495
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| Canonical SMILES |
CCN(CC(C)(C)O)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CC)c(=O)c2c1C
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| InChI |
InChI=1S/C19H26F3N3O4S/c1-6-23(10-18(4,5)29)15(27)13-11(3)12-14(26)24(7-2)17(28)25(16(12)30-13)9-8-19(20,21)22/h29H,6-10H2,1-5H3
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| InChIKey |
YSVMDIPCJYYNRW-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