General Information of the Compound
| Compound ID |
CP0525161
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| Compound Name |
US8980829, 5
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| Structure |
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| Formula |
C24H29ClO7
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| Molecular Weight |
464.942
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| Canonical SMILES |
CC1(COc2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)COC1
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| InChI |
InChI=1S/C24H29ClO7/c1-24(11-30-12-24)13-31-17-5-2-14(3-6-17)8-16-9-15(4-7-18(16)25)23-22(29)21(28)20(27)19(10-26)32-23/h2-7,9,19-23,26-29H,8,10-13H2,1H3/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
BMVWEXCLEJNNNQ-ZQGJOIPISA-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