General Information of the Compound
| Compound ID |
CP0577050
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| Compound Name |
US9034921, E181
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| Structure |
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| Formula |
C24H29ClO6
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| Molecular Weight |
448.943
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| Canonical SMILES |
CC(C)c1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCOc3c2Cl)cc1
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| InChI |
InChI=1S/C24H29ClO6/c1-12(2)14-5-3-13(4-6-14)9-15-10-17(16-7-8-30-23(16)19(15)25)24-22(29)21(28)20(27)18(11-26)31-24/h3-6,10,12,18,20-22,24,26-29H,7-9,11H2,1-2H3/t18-,20-,21+,22-,24+/m1/s1
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| InChIKey |
ZVXJLRDBQFYLKE-YVTYUBGGSA-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