General Information of the Compound
| Compound ID |
CP0506158
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| Compound Name |
7-Benzyloxy-6-benzyloxymethyl-8-hydroxy-3-methyl-6,7,8,8a-tetrahydro-4aH-4,5-dioxa-1-thia-naphthalene-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C26H30O7S
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| Molecular Weight |
486.586
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| Canonical SMILES |
CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(O)C2S1
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| InChI |
InChI=1S/C26H30O7S/c1-3-30-25(28)23-17(2)32-26-24(34-23)21(27)22(31-15-19-12-8-5-9-13-19)20(33-26)16-29-14-18-10-6-4-7-11-18/h4-13,20-22,24,26-27H,3,14-16H2,1-2H3
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| InChIKey |
KLQUNDOIRWHEPS-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