General Information of the Compound
| Compound ID |
CP0479096
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| Compound Name |
ethyl 1-(4-phenylphenyl)-5-[(1S,2S,3S)-1,2,3-trihydroxybutyl]triazole-4-carboxylate
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| Structure |
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| Formula |
C21H23N3O5
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| Molecular Weight |
397.431
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| Canonical SMILES |
CCOC(=O)c1nnn(c1[C@H](O)[C@@H](O)[C@H](C)O)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C21H23N3O5/c1-3-29-21(28)17-18(20(27)19(26)13(2)25)24(23-22-17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,19-20,25-27H,3H2,1-2H3/t13-,19-,20-/m0/s1
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| InChIKey |
CTWKBKNDVAACMM-MRFFXTKBSA-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