General Information of the Compound
| Compound ID |
CP0724374
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| Compound Name |
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6,6-dipropyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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| Formula |
C24H33N3O5S
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| Molecular Weight |
475.611
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| Canonical SMILES |
CCCC1(CCC)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1
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| InChI |
InChI=1S/C24H33N3O5S/c1-5-11-24(12-6-2)14-20(28)22(23(29)32-24)19(7-3)17-9-8-10-18(13-17)26-33(30,31)21-15-27(4)16-25-21/h8-10,13,15-16,19,26,29H,5-7,11-12,14H2,1-4H3
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| InChIKey |
PXPNGWLVOBFUMC-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