General Information of the Compound
| Compound ID |
CP0448356
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| Compound Name |
N-(2-amino-2-oxoethyl)-3-[4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
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| Structure |
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| Formula |
C25H18F4N2O2S
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| Molecular Weight |
486.49
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| Canonical SMILES |
NC(=O)CNC(=O)c1cccc(c1)-c1ccc(F)c2cc(Cc3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C25H18F4N2O2S/c26-21-8-7-19(15-4-2-5-16(11-15)24(33)31-13-22(30)32)23-20(21)12-18(34-23)10-14-3-1-6-17(9-14)25(27,28)29/h1-9,11-12H,10,13H2,(H2,30,32)(H,31,33)
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| InChIKey |
WUEQPALOIZXSGA-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