General Information of the Compound
| Compound ID |
CP0785301
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| Compound Name |
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-6,6-diisobutyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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| Formula |
C26H37N3O5S
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| Molecular Weight |
503.665
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| Canonical SMILES |
CCC(C1=C(O)OC(CC(C)C)(CC(C)C)CC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1
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| InChI |
InChI=1S/C26H37N3O5S/c1-7-21(24-22(30)14-26(12-17(2)3,13-18(4)5)34-25(24)31)19-9-8-10-20(11-19)28-35(32,33)23-15-29(6)16-27-23/h8-11,15-18,21,28,31H,7,12-14H2,1-6H3
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| InChIKey |
NENARFOUQNGAMZ-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