General Information of the Compound
| Compound ID |
CP0513571
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| Compound Name |
N-(4-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 |
Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3CCCCc23)cc1
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| InChI |
InChI=1S/C18H17F3N2O2S/c1-10-6-8-11(9-7-10)22-15(24)14-12-4-2-3-5-13(12)26-16(14)23-17(25)18(19,20)21/h6-9H,2-5H2,1H3,(H,22,24)(H,23,25)
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| InChIKey |
HMPIYZSQVFPJJY-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