General Information of the Compound
| Compound ID |
CP0511959
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| Compound Name |
US9315438, Reference compound 1
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| Structure |
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| Formula |
C25H29ClO6
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| Molecular Weight |
460.954
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| Canonical SMILES |
OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OC3CC4CC4C3)cc2)c1
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| InChI |
InChI=1S/C25H29ClO6/c26-20-6-3-14(25-24(30)23(29)22(28)21(12-27)32-25)8-17(20)7-13-1-4-18(5-2-13)31-19-10-15-9-16(15)11-19/h1-6,8,15-16,19,21-25,27-30H,7,9-12H2/t15?,16?,19?,21-,22-,23+,24-,25?/m1/s1
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| InChIKey |
WDBIPGHUEJEKTC-HASLNYDSSA-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