General Information of the Compound
| Compound ID |
CP0578330
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| Compound Name |
US9034921, E021
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| Structure |
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| Formula |
C22H25ClO7
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| Molecular Weight |
436.888
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| Canonical SMILES |
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3OCCc3c2Cl)cc1
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| InChI |
InChI=1S/C22H25ClO7/c1-28-13-4-2-11(3-5-13)8-12-9-15(21-14(17(12)23)6-7-29-21)22-20(27)19(26)18(25)16(10-24)30-22/h2-5,9,16,18-20,22,24-27H,6-8,10H2,1H3/t16-,18-,19+,20-,22+/m1/s1
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| InChIKey |
APGNBALCJRLEHA-KQDNOMNESA-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