General Information of the Compound
| Compound ID |
CP0486654
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| Compound Name |
ethyl 1-(4-bromophenyl)-5-[(1S,2S,3S)-1,2,3-trihydroxybutyl]triazole-4-carboxylate
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| Structure |
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| Formula |
C15H18BrN3O5
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| Molecular Weight |
400.229
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| Canonical SMILES |
CCOC(=O)c1nnn(c1[C@H](O)[C@@H](O)[C@H](C)O)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C15H18BrN3O5/c1-3-24-15(23)11-12(14(22)13(21)8(2)20)19(18-17-11)10-6-4-9(16)5-7-10/h4-8,13-14,20-22H,3H2,1-2H3/t8-,13-,14-/m0/s1
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| InChIKey |
XMRKJAXKIRJPFH-YZMDESFKSA-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