General Information of the Compound
| Compound ID |
CP0386077
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| Compound Name |
methyl 1-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]triazole-4-carboxylate
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| Structure |
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| Formula |
C28H29ClN4O6
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| Molecular Weight |
553.015
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| Canonical SMILES |
COC(=O)c1cn(C[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)n2cc(Cc3ccc(cc3)C3CC3)c3c(Cl)cccc23)nn1
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| InChI |
InChI=1S/C28H29ClN4O6/c1-38-28(37)20-13-32(31-30-20)14-22-24(34)25(35)26(36)27(39-22)33-12-18(23-19(29)3-2-4-21(23)33)11-15-5-7-16(8-6-15)17-9-10-17/h2-8,12-13,17,22,24-27,34-36H,9-11,14H2,1H3/t22-,24-,25+,26-,27-/m1/s1
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| InChIKey |
FHNZEYFYMXTVHV-UIKHAHSZSA-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