General Information of the Compound
| Compound ID |
CP0562522
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| Compound Name |
(2S,3R,4R,6R)-2-[5-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-hydroxy-4-methoxyphenyl]-5,5-difluoro-6-(hydroxymethyl)oxane-3,4-diol
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| Structure |
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| Formula |
C23H26F2O7
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| Molecular Weight |
452.45
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| Canonical SMILES |
COc1cc(O)c(cc1Cc1ccc2OCCCc2c1)[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C23H26F2O7/c1-30-18-10-16(27)15(21-20(28)22(29)23(24,25)19(11-26)32-21)9-14(18)8-12-4-5-17-13(7-12)3-2-6-31-17/h4-5,7,9-10,19-22,26-29H,2-3,6,8,11H2,1H3/t19-,20+,21+,22-/m1/s1
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| InChIKey |
LPRSLQSOVPNTKW-CLAROIROSA-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