General Information of the Compound
| Compound ID |
CP0248398
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| Compound Name |
4-[2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-2-(trifluoromethoxy)benzonitrile
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| Structure |
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| Formula |
C24H24F3N3O3
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| Molecular Weight |
459.468
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| Canonical SMILES |
FC(F)(F)Oc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N
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| InChI |
InChI=1S/C24H24F3N3O3/c25-24(26,27)33-22-14-18(1-3-19(22)15-28)6-8-30-11-9-29(10-12-30)7-5-17-2-4-21-20(13-17)16-32-23(21)31/h1-4,13-14H,5-12,16H2
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| InChIKey |
GFZFUQFFPIRNGH-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