General Information of the Compound
| Compound ID |
CP0496382
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| Compound Name |
6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-nicotinic acid 2,2,3,3,3-pentafluoro-propyl ester
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| Structure |
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| Formula |
C23H24F5NO3S
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| Molecular Weight |
489.506
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| Canonical SMILES |
CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F
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| InChI |
InChI=1S/C23H24F5NO3S/c1-4-10-15-17(21(31)33-6-3)16(5-2)29-19(14-11-8-7-9-12-14)18(15)20(30)32-13-22(24,25)23(26,27)28/h7-9,11-12H,4-6,10,13H2,1-3H3
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| InChIKey |
CFXTXARKEUSPHR-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