General Information of the Compound
| Compound ID |
CP0541001
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| Compound Name |
2-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C20H22ClN3O7
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| Molecular Weight |
451.863
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| Canonical SMILES |
COc1ccn2c(c1)nn(Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2=O
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| InChI |
InChI=1S/C20H22ClN3O7/c1-30-12-4-5-23-15(7-12)22-24(20(23)29)8-11-6-10(2-3-13(11)21)19-18(28)17(27)16(26)14(9-25)31-19/h2-7,14,16-19,25-28H,8-9H2,1H3/t14-,16-,17+,18-,19+/m1/s1
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| InChIKey |
MCCCUVSINKKKFW-FTWQHDNSSA-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