General Information of the Compound
| Compound ID |
CP0387870
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| Compound Name |
5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C26H27F3N4O3S
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| Molecular Weight |
532.588
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| Canonical SMILES |
FC(F)(F)CN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
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| InChI |
InChI=1S/C26H27F3N4O3S/c27-26(28,29)16-33-23(35)21(37-24(33)17-6-2-1-3-7-17)14-22(34)31-12-10-19(11-13-31)32-15-18-8-4-5-9-20(18)30-25(32)36/h1-9,19,21,24H,10-16H2,(H,30,36)
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| InChIKey |
KNMVJFJLEOXSBS-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