General Information of the Compound
| Compound ID |
CP0390386
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| Compound Name |
US8614195, 2b
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| Structure |
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| Formula |
C29H36O9
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| Molecular Weight |
528.598
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| Canonical SMILES |
CC(C)COC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C2CC2)c(Cc2ccc3OCCOc3c2)c1
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| InChI |
InChI=1S/C29H36O9/c1-16(2)14-36-29(33)37-15-24-25(30)26(31)27(32)28(38-24)19-6-7-21(18-4-5-18)20(13-19)11-17-3-8-22-23(12-17)35-10-9-34-22/h3,6-8,12-13,16,18,24-28,30-32H,4-5,9-11,14-15H2,1-2H3/t24-,25-,26+,27-,28+/m1/s1
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| InChIKey |
PJWSZMHTAJWCQH-DFLSAPQXSA-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