General Information of the Compound
| Compound ID |
CP0469213
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| Compound Name |
(2S,3R,4R,5R)-2-[4-chloro-2-methoxy-5-[(4-propan-2-ylphenyl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C23H29ClO6
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| Molecular Weight |
436.932
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| Canonical SMILES |
COc1cc(Cl)c(Cc2ccc(cc2)C(C)C)cc1[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C23H29ClO6/c1-12(2)14-6-4-13(5-7-14)8-15-9-16(19(29-3)10-17(15)24)22-20(27)21(28)23(30-22)18(26)11-25/h4-7,9-10,12,18,20-23,25-28H,8,11H2,1-3H3/t18-,20-,21-,22+,23-/m1/s1
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| InChIKey |
AHHYCPVOFHFVMK-FUBOCBINSA-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