General Information of the Compound
| Compound ID |
CP0506662
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| Compound Name |
1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-tritylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C41H37ClN2O7
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| Molecular Weight |
705.207
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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(cc2)N2CC(=O)N(C2=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C41H37ClN2O7/c42-33-21-18-27(39-38(49)37(48)36(47)34(25-45)51-39)23-28(33)22-26-16-19-32(20-17-26)43-24-35(46)44(40(43)50)41(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-21,23,34,36-39,45,47-49H,22,24-25H2/t34-,36-,37+,38-,39+/m1/s1
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| InChIKey |
XDIHVUHQAPOHKV-RZJQWKCISA-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