General Information of the Compound
| Compound ID |
CP0578329
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| Compound Name |
US9034921, E233
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| Structure |
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| Formula |
C26H31ClO6
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| Molecular Weight |
474.981
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CCCC2)c(Cl)c2OCCc12
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| InChI |
InChI=1S/C26H31ClO6/c27-21-17(11-14-5-7-16(8-6-14)15-3-1-2-4-15)12-19(18-9-10-32-25(18)21)26-24(31)23(30)22(29)20(13-28)33-26/h5-8,12,15,20,22-24,26,28-31H,1-4,9-11,13H2/t20-,22-,23+,24-,26+/m1/s1
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| InChIKey |
DDNVQOAZSNCRND-TXKDOCKMSA-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