General Information of the Compound
| Compound ID |
CP0683500
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| Compound Name |
1-Methyl-1H-imidazole-4-sulfonic acid {3-[1-(4-hydroxy-2-oxo-6,6-diphenethyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl}-amide
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| Formula |
C34H37N3O5S
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| Molecular Weight |
599.753
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| Canonical SMILES |
CCC(C1=C(O)OC(CCc2ccccc2)(CCc2ccccc2)CC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1
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| InChI |
InChI=1S/C34H37N3O5S/c1-3-29(27-15-10-16-28(21-27)36-43(40,41)31-23-37(2)24-35-31)32-30(38)22-34(42-33(32)39,19-17-25-11-6-4-7-12-25)20-18-26-13-8-5-9-14-26/h4-16,21,23-24,29,36,39H,3,17-20,22H2,1-2H3
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| InChIKey |
ZIPRCBSHTYXVAH-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