General Information of the Compound
| Compound ID |
CP0379730
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| Compound Name |
4-Chloro-3-(4-hydroxybenzyl)-1-(beta-D-xylopyranosyl)-1H-indole
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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 |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(O)cc2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C20H20ClNO5/c21-14-2-1-3-15-17(14)12(8-11-4-6-13(23)7-5-11)9-22(15)20-19(26)18(25)16(24)10-27-20/h1-7,9,16,18-20,23-26H,8,10H2/t16-,18+,19-,20-/m1/s1
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| InChIKey |
GDOCXHVTFBTYJC-GSEOLPGOSA-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