General Information of the Compound
| Compound ID |
CP0547397
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| Compound Name |
2-[(2,2,2-trifluoroacetyl)amino]-N-[2-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C19H16F6N2O3S
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| Molecular Weight |
466.403
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCCc12
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| InChI |
InChI=1S/C19H16F6N2O3S/c20-18(21,22)17(29)27-16-14(10-6-2-1-3-9-13(10)31-16)15(28)26-11-7-4-5-8-12(11)30-19(23,24)25/h4-5,7-8H,1-3,6,9H2,(H,26,28)(H,27,29)
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| InChIKey |
DQJFTGFZMLQLSL-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