General Information of the Compound
| Compound ID |
CP0464443
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| Compound Name |
(4-{2-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-ethyl}-phenoxy)-acetic acid
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| Structure |
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| Formula |
C19H24N2O7S
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| Molecular Weight |
424.475
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)C(O)CNCCc1ccc(OCC(O)=O)cc1
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| InChI |
InChI=1S/C19H24N2O7S/c1-29(26,27)21-16-10-14(4-7-17(16)22)18(23)11-20-9-8-13-2-5-15(6-3-13)28-12-19(24)25/h2-7,10,18,20-23H,8-9,11-12H2,1H3,(H,24,25)
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| InChIKey |
GYNIGZFGUDCHBW-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