General Information of the Compound
| Compound ID |
CP0440246
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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-propan-2-ylimidazolidine-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 |
CC(C)N1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C25H29ClN2O7/c1-13(2)28-20(30)11-27(25(28)34)17-6-3-14(4-7-17)9-16-10-15(5-8-18(16)26)24-23(33)22(32)21(31)19(12-29)35-24/h3-8,10,13,19,21-24,29,31-33H,9,11-12H2,1-2H3/t19-,21-,22+,23-,24+/m1/s1
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| InChIKey |
UDKYFCCRHLNGBQ-ZXGKGEBGSA-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