General Information of the Compound
| Compound ID |
CP0398817
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| Compound Name |
N-(2-amino-2-oxoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
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| Structure |
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| Formula |
C25H19F3N2O2S
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| Molecular Weight |
468.5
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| Canonical SMILES |
NC(=O)CNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C25H19F3N2O2S/c26-25(27,28)19-8-1-4-15(10-19)11-20-13-17-6-3-9-21(23(17)33-20)16-5-2-7-18(12-16)24(32)30-14-22(29)31/h1-10,12-13H,11,14H2,(H2,29,31)(H,30,32)
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| InChIKey |
YEXFTFGLKGVAPD-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