General Information of the Compound
| Compound ID |
CP0527851
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| Compound Name |
N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C17H19F3N2OS
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| Molecular Weight |
356.413
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| Canonical SMILES |
CC(C)C(C)Nc1cc(NC(=O)c2cccs2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H19F3N2OS/c1-10(2)11(3)21-13-7-12(17(18,19)20)8-14(9-13)22-16(23)15-5-4-6-24-15/h4-11,21H,1-3H3,(H,22,23)
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| InChIKey |
JJOTYXMTNZIMSZ-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