General Information of the Compound
| Compound ID |
CP0547917
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| Compound Name |
2-(propanoylamino)-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 |
C20H21F3N2O3S
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| Molecular Weight |
426.46
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| Canonical SMILES |
CCC(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C20H21F3N2O3S/c1-2-16(26)25-19-17(12-8-4-3-5-11-15(12)29-19)18(27)24-13-9-6-7-10-14(13)28-20(21,22)23/h6-7,9-10H,2-5,8,11H2,1H3,(H,24,27)(H,25,26)
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| InChIKey |
NQRSQQUYVBAWFU-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