General Information of the Compound
| Compound ID |
CP0412847
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| Compound Name |
N-(2-methylphenyl)-2-(2,2,3,3,3-pentafluoropropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
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| Structure |
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| Formula |
C18H15F5N2O3S
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| Molecular Weight |
434.386
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| Canonical SMILES |
Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)F)sc2COCCc12
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| InChI |
InChI=1S/C18H15F5N2O3S/c1-9-4-2-3-5-11(9)24-14(26)13-10-6-7-28-8-12(10)29-15(13)25-16(27)17(19,20)18(21,22)23/h2-5H,6-8H2,1H3,(H,24,26)(H,25,27)
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| InChIKey |
XFFOELBIIQXPCJ-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