General Information of the Compound
| Compound ID |
CP0558495
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| Compound Name |
N-(2-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C18H17F3N2O2S
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| Molecular Weight |
382.407
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| Canonical SMILES |
Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCc12
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| InChI |
InChI=1S/C18H17F3N2O2S/c1-10-6-2-4-8-12(10)22-15(24)14-11-7-3-5-9-13(11)26-16(14)23-17(25)18(19,20)21/h2,4,6,8H,3,5,7,9H2,1H3,(H,22,24)(H,23,25)
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| InChIKey |
YAVAJABKDUUSRE-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