General Information of the Compound
| Compound ID |
CP0508789
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| Compound Name |
4-Chloro-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(beta-Dxylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C22H22ClNO6
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| Molecular Weight |
431.872
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| Canonical SMILES |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc3OCCOc3c2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C22H22ClNO6/c23-14-2-1-3-15-19(14)13(8-12-4-5-17-18(9-12)29-7-6-28-17)10-24(15)22-21(27)20(26)16(25)11-30-22/h1-5,9-10,16,20-22,25-27H,6-8,11H2/t16-,20+,21-,22-/m1/s1
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| InChIKey |
HOVAATQMRUNHRF-IDZYALCFSA-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