General Information of the Compound
| Compound ID |
CP0724036
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| Compound Name |
1-Methyl-1H-imidazole-4-sulfonic acid [3-(1-{6-[2-(4-fluoro-phenyl)-ethyl]-4-hydroxy-2-oxo-6-propyl-5,6-dihydro-2H-pyran-3-yl}-propyl)-phenyl]-amide
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| Formula |
C29H34FN3O5S
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| Molecular Weight |
555.672
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| Canonical SMILES |
CCCC1(CCc2ccc(F)cc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1
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| InChI |
InChI=1S/C29H34FN3O5S/c1-4-14-29(15-13-20-9-11-22(30)12-10-20)17-25(34)27(28(35)38-29)24(5-2)21-7-6-8-23(16-21)32-39(36,37)26-18-33(3)19-31-26/h6-12,16,18-19,24,32,35H,4-5,13-15,17H2,1-3H3
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| InChIKey |
VKYLSQJAUPMEOP-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