General Information of the Compound
| Compound ID |
CP0519938
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| Compound Name |
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C21H19F7N2O2S
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| Molecular Weight |
496.448
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| Canonical SMILES |
Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2CCCCCc12
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| InChI |
InChI=1S/C21H19F7N2O2S/c1-11-7-5-6-9-13(11)29-16(31)15-12-8-3-2-4-10-14(12)33-17(15)30-18(32)19(22,23)20(24,25)21(26,27)28/h5-7,9H,2-4,8,10H2,1H3,(H,29,31)(H,30,32)
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| InChIKey |
NFKWGHWETIKTKU-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