General Information of the Compound
| Compound ID |
CP0398813
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| Compound Name |
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
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| Structure |
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| Formula |
C25H20F3NO3
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| Molecular Weight |
439.433
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| Canonical SMILES |
OCCNC(=O)c1cccc(c1)-c1cccc2oc(Cc3cccc(c3)C(F)(F)F)cc12
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| InChI |
InChI=1S/C25H20F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)
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| InChIKey |
LBKIJSKRXVUWER-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