General Information of the Compound
| Compound ID |
CP0404018
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| Compound Name |
ethyl 1-(2,4-dichlorophenyl)-5-[(1S,2S,3S)-1,2,3-trihydroxybutyl]triazole-4-carboxylate
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| Structure |
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| Formula |
C15H17Cl2N3O5
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| Molecular Weight |
390.223
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| Canonical SMILES |
CCOC(=O)c1nnn(c1[C@H](O)[C@@H](O)[C@H](C)O)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C15H17Cl2N3O5/c1-3-25-15(24)11-12(14(23)13(22)7(2)21)20(19-18-11)10-5-4-8(16)6-9(10)17/h4-7,13-14,21-23H,3H2,1-2H3/t7-,13-,14-/m0/s1
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| InChIKey |
OOOSNCYVMCYHSN-GTNLGMRDSA-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