General Information of the Compound
| Compound ID |
CP0533015
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| Compound Name |
6-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-7-phenyl-heptanoic acid methylamide
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| Structure |
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| Formula |
C23H33N3O5S
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| Molecular Weight |
463.6
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| Canonical SMILES |
CNC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C23H33N3O5S/c1-24-23(29)11-7-6-10-19(14-17-8-4-3-5-9-17)25-16-22(28)18-12-13-21(27)20(15-18)26-32(2,30)31/h3-5,8-9,12-13,15,19,22,25-28H,6-7,10-11,14,16H2,1-2H3,(H,24,29)
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| InChIKey |
AEQVWHWUJWAWAQ-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