General Information of the Compound
| Compound ID |
CP0471759
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| Compound Name |
1-[2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indol-6-yl]ethanone
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| Structure |
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| Formula |
C23H18F3NOS
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| Molecular Weight |
413.464
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| Canonical SMILES |
CC(=O)c1ccc2c(C(CC(F)(F)F)c3cccs3)c([nH]c2c1)-c1ccccc1
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| InChI |
InChI=1S/C23H18F3NOS/c1-14(28)16-9-10-17-19(12-16)27-22(15-6-3-2-4-7-15)21(17)18(13-23(24,25)26)20-8-5-11-29-20/h2-12,18,27H,13H2,1H3
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| InChIKey |
UZFCNEJFWRYDPS-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