General Information of the Compound
| Compound ID |
CP0469536
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-6-chloro-6'-methyl-5-[[5-(2-propoxyethyl)thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C23H29ClO6S
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| Molecular Weight |
468.999
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| Canonical SMILES |
CCCOCCc1ccc(Cc2cc3c(CO[C@]33O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)s1
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| InChI |
InChI=1S/C23H29ClO6S/c1-3-7-28-8-6-16-4-5-17(31-16)9-14-10-18-15(11-19(14)24)12-29-23(18)22(27)21(26)20(25)13(2)30-23/h4-5,10-11,13,20-22,25-27H,3,6-9,12H2,1-2H3/t13-,20-,21+,22-,23+/m1/s1
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| InChIKey |
BJLRFXBDKXVNOU-HMXWYGJXSA-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2