General Information of the Compound
| Compound ID |
CP0475963
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| Compound Name |
N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
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| Structure |
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| Formula |
C26H22F3NO2S
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| Molecular Weight |
469.528
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| Canonical SMILES |
COCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C26H22F3NO2S/c1-32-12-11-30-25(31)20-8-3-6-18(15-20)23-10-4-7-19-16-22(33-24(19)23)14-17-5-2-9-21(13-17)26(27,28)29/h2-10,13,15-16H,11-12,14H2,1H3,(H,30,31)
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| InChIKey |
YDYUQYHEVVOYDN-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