General Information of the Compound
| Compound ID |
CP0547843
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| Compound Name |
2-[(2-bromo-2,2-difluoroacetyl)amino]-N-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C18H17BrF2N2O2S
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| Molecular Weight |
443.313
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| Canonical SMILES |
FC(F)(Br)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C18H17BrF2N2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)
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| InChIKey |
GAZFNWXLZNWENT-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