General Information of the Compound
| Compound ID |
CP0510246
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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]-3,5,5-trimethylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C25H29ClN2O7
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| Molecular Weight |
504.967
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| Canonical SMILES |
CN1C(=O)N(c2ccc(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)C(C)(C)C1=O
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| InChI |
InChI=1S/C25H29ClN2O7/c1-25(2)23(33)27(3)24(34)28(25)16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)26)22-21(32)20(31)19(30)18(12-29)35-22/h4-9,11,18-22,29-32H,10,12H2,1-3H3/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
HABYXVNLBFTCAL-BDHVOXNPSA-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