General Information of the Compound
Compound ID |
CP0467343
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Compound Name |
7-Benzyloxy-8-hydroxy-6-hydroxymethyl-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 |
C19H24O7S
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Molecular Weight |
396.461
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Canonical SMILES |
CCOC(=O)C1=C(C)OC2OC(CO)C(OCc3ccccc3)C(O)C2S1
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InChI |
InChI=1S/C19H24O7S/c1-3-23-18(22)16-11(2)25-19-17(27-16)14(21)15(13(9-20)26-19)24-10-12-7-5-4-6-8-12/h4-8,13-15,17,19-21H,3,9-10H2,1-2H3
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InChIKey |
FTFQNIITYCJBDY-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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