General Information of the Compound
| Compound ID |
CP0680926
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| Compound Name |
5-Trifluoromethyl-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-amide
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| Formula |
C33H37F3N2O5S
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| Molecular Weight |
630.729
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| Canonical SMILES |
CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(C)(C)C)=C(O)O1
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| InChI |
InChI=1S/C33H37F3N2O5S/c1-5-17-32(18-16-22-10-7-6-8-11-22)20-26(39)28(30(40)43-32)29(31(2,3)4)23-12-9-13-25(19-23)38-44(41,42)27-15-14-24(21-37-27)33(34,35)36/h6-15,19,21,29,38,40H,5,16-18,20H2,1-4H3
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| InChIKey |
NEWRECHCXPLPKY-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