General Information of the Compound
| Compound ID |
CP0826059
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| Compound Name |
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6,6-dipentyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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| Formula |
C28H41N3O5S
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| Molecular Weight |
531.719
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| Canonical SMILES |
CCCCCC1(CCCCC)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)=C(O)O1
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| InChI |
InChI=1S/C28H41N3O5S/c1-5-8-10-15-28(16-11-9-6-2)18-24(32)26(27(33)36-28)23(7-3)21-13-12-14-22(17-21)30-37(34,35)25-19-31(4)20-29-25/h12-14,17,19-20,23,30,33H,5-11,15-16,18H2,1-4H3
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| InChIKey |
QDGVMIHYRQXDIE-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