General Information of the Compound
| Compound ID |
CP0512496
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| Compound Name |
4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]benzonitrile
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| Structure |
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| Formula |
C20H20ClNO5
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| Molecular Weight |
389.835
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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)C#N)c1
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| InChI |
InChI=1S/C20H20ClNO5/c21-15-6-5-13(20-19(26)18(25)17(24)16(10-23)27-20)8-14(15)7-11-1-3-12(9-22)4-2-11/h1-6,8,16-20,23-26H,7,10H2/t16-,17-,18+,19-,20+/m1/s1
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| InChIKey |
KABXMYCTMVQIJC-OBKDMQGPSA-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