General Information of the Compound
| Compound ID |
CP0399689
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| Compound Name |
(7,8-Bis-benzyloxy-6-benzyloxymethyl-1,1-dioxo-3-phenyl-6,7,8,8a-tetrahydro-1H,4aH-4,5-dioxa-1lambda*6*-thia-naphthalen-2-yl)-phenyl-methanone
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| Structure |
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| Formula |
C42H38O8S
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| Molecular Weight |
702.825
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| Canonical SMILES |
O=C(C1=C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1(=O)=O)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C42H38O8S/c43-36(33-22-12-4-13-23-33)40-37(34-24-14-5-15-25-34)50-42-41(51(40,44)45)39(48-28-32-20-10-3-11-21-32)38(47-27-31-18-8-2-9-19-31)35(49-42)29-46-26-30-16-6-1-7-17-30/h1-25,35,38-39,41-42H,26-29H2
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| InChIKey |
NESWUDZDZGRGOX-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