General Information of the Compound
| Compound ID |
CP0388926
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| Compound Name |
US8980829, 17
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| Structure |
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| Formula |
C25H30ClNO7
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| Molecular Weight |
491.968
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| Canonical SMILES |
CC(=O)N1CC(COc2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)C1
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| InChI |
InChI=1S/C25H30ClNO7/c1-14(29)27-10-16(11-27)13-33-19-5-2-15(3-6-19)8-18-9-17(4-7-20(18)26)25-24(32)23(31)22(30)21(12-28)34-25/h2-7,9,16,21-25,28,30-32H,8,10-13H2,1H3/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
XRSHIDNAPGODDP-RXFVIIJJSA-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