General Information of the Compound
| Compound ID |
CP0472621
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| Compound Name |
US8980829, 11
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| Structure |
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| Formula |
C24H29ClO7S
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| Molecular Weight |
497.009
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCC3CS(=O)C3)cc2)c1
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| InChI |
InChI=1S/C24H29ClO7S/c25-19-6-3-16(24-23(29)22(28)21(27)20(11-26)32-24)10-17(19)9-14-1-4-18(5-2-14)31-8-7-15-12-33(30)13-15/h1-6,10,15,20-24,26-29H,7-9,11-13H2/t15?,20-,21-,22+,23-,24+,33?/m1/s1
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| InChIKey |
OIBCPVDKWIYQRU-MQUDJZJPSA-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