General Information of the Compound
| Compound ID |
CP0253728
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| Compound Name |
(+/-)-1-{3-[4-(5-Methoxy-3-methyl-4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-2-yl)-phenoxy]-propyl}-pyrrolidine
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| Structure |
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| Formula |
C23H29NO5S
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| Molecular Weight |
431.554
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| Canonical SMILES |
COc1cccc2OC(C(C)S(=O)(=O)c12)c1ccc(OCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C23H29NO5S/c1-17-22(29-21-8-5-7-20(27-2)23(21)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3
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| InChIKey |
OEPQINMROZHEAJ-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