General Information of the Compound
| Compound ID |
CP0882343
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| Compound Name |
7,8-Bis-benzyloxy-6-benzyloxymethyl-3-methyl-1-oxo-6,7,8,8a-tetrahydro-1H,4aH-4,5-dioxa-1lambda*4*-thia-naphthalene-2-carboxylic acid phenyl ester
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| Structure |
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| Formula |
C37H36O8S
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| Molecular Weight |
640.754
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| Canonical SMILES |
CC1=C(C(=O)Oc2ccccc2)[S+]([O-])C2C(O1)OC(COCc1ccccc1)C(OCc1ccccc1)C2OCc1ccccc1
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| InChI |
InChI=1S/C37H36O8S/c1-26-34(36(38)44-30-20-12-5-13-21-30)46(39)35-33(42-24-29-18-10-4-11-19-29)32(41-23-28-16-8-3-9-17-28)31(45-37(35)43-26)25-40-22-27-14-6-2-7-15-27/h2-21,31-33,35,37H,22-25H2,1H3
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| InChIKey |
HHQQPNNFXJAJPB-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