General Information of the Compound
| Compound ID |
CP0452828
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| Compound Name |
N-[3-(thiophen-2-ylmethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C17H13F3N2OS2
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| Molecular Weight |
382.432
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| Canonical SMILES |
FC(F)(F)c1cc(NCc2cccs2)cc(NC(=O)c2cccs2)c1
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| InChI |
InChI=1S/C17H13F3N2OS2/c18-17(19,20)11-7-12(21-10-14-3-1-5-24-14)9-13(8-11)22-16(23)15-4-2-6-25-15/h1-9,21H,10H2,(H,22,23)
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| InChIKey |
RRTAHZNWVCULQP-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