General Information of the Compound
| Compound ID |
CP0391838
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| Compound Name |
ethyl 1-[2-(trifluoromethyl)phenyl]-5-[(1S,2S,3S)-1,2,3-trihydroxybutyl]triazole-4-carboxylate
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| Structure |
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| Formula |
C16H18F3N3O5
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| Molecular Weight |
389.33
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| Canonical SMILES |
CCOC(=O)c1nnn(c1[C@H](O)[C@@H](O)[C@H](C)O)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C16H18F3N3O5/c1-3-27-15(26)11-12(14(25)13(24)8(2)23)22(21-20-11)10-7-5-4-6-9(10)16(17,18)19/h4-8,13-14,23-25H,3H2,1-2H3/t8-,13-,14-/m0/s1
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| InChIKey |
GCNBHSRPOJSVEL-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