General Information of the Compound
| Compound ID |
CP0863178
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| Compound Name |
1-[6-(Acetylamino)-6-deoxy-beta-D-glucopyranosyl]-4-chloro-3-(4-cyclopropylbenzyl)-1H-indole
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| Structure |
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| Formula |
C26H29ClN2O5
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| Molecular Weight |
484.98
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| Canonical SMILES |
CC(=O)NC[C@H]1O[C@@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C26H29ClN2O5/c1-14(30)28-12-21-23(31)24(32)25(33)26(34-21)29-13-18(22-19(27)3-2-4-20(22)29)11-15-5-7-16(8-6-15)17-9-10-17/h2-8,13,17,21,23-26,31-33H,9-12H2,1H3,(H,28,30)/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
BILGTWHYSCNCRU-XDXGNBCUSA-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