General Information of the Compound
| Compound ID |
CP0192974
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| Compound Name |
(2R,3S)-5-Ethyl-3-(4-hydroxy-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[1,4]oxathiin-7-ol
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| Structure |
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| Formula |
C29H33NO4S
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| Molecular Weight |
491.653
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| Canonical SMILES |
CCc1cc(O)cc2O[C@@H]([C@@H](Sc12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C29H33NO4S/c1-2-20-18-24(32)19-26-28(20)35-29(22-6-10-23(31)11-7-22)27(34-26)21-8-12-25(13-9-21)33-17-16-30-14-4-3-5-15-30/h6-13,18-19,27,29,31-32H,2-5,14-17H2,1H3/t27-,29+/m1/s1
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| InChIKey |
RQEDNNYPHPXBQP-PXJZQJOASA-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