General Information of the Compound
| Compound ID |
CP0503428
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| Compound Name |
7,8-Bis-benzyloxy-6-benzyloxymethyl-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 |
C33H36O7S
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| Molecular Weight |
576.711
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| Canonical SMILES |
CCOC(=O)C1=C(C)OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1
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| InChI |
InChI=1S/C33H36O7S/c1-3-36-32(34)30-23(2)39-33-31(41-30)29(38-21-26-17-11-6-12-18-26)28(37-20-25-15-9-5-10-16-25)27(40-33)22-35-19-24-13-7-4-8-14-24/h4-18,27-29,31,33H,3,19-22H2,1-2H3
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| InChIKey |
FTNWTUOYFILWLZ-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