General Information of the Compound
| Compound ID |
CP0466591
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| Compound Name |
(4-{2-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-ethyl}-phenoxy)-acetic acid methyl ester
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| Structure |
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| Formula |
C20H26N2O7S
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| Molecular Weight |
438.502
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| Canonical SMILES |
COC(=O)COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1
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| InChI |
InChI=1S/C20H26N2O7S/c1-28-20(25)13-29-16-6-3-14(4-7-16)9-10-21-12-19(24)15-5-8-18(23)17(11-15)22-30(2,26)27/h3-8,11,19,21-24H,9-10,12-13H2,1-2H3
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| InChIKey |
VQPXWWJGBZIGAX-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