General Information of the Compound
| Compound ID |
CP0534236
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-6'-methyl-5-[(5-propylthiophen-2-yl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C21H26O5S
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| Molecular Weight |
390.501
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| Canonical SMILES |
CCCc1ccc(Cc2ccc3CO[C@]4(O[C@H](C)[C@@H](O)[C@H](O)[C@H]4O)c3c2)s1
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| InChI |
InChI=1S/C21H26O5S/c1-3-4-15-7-8-16(27-15)9-13-5-6-14-11-25-21(17(14)10-13)20(24)19(23)18(22)12(2)26-21/h5-8,10,12,18-20,22-24H,3-4,9,11H2,1-2H3/t12-,18-,19+,20-,21+/m1/s1
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| InChIKey |
GJNXFQGSYDOYAW-JLBFBPAZSA-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