General Information of the Compound
| Compound ID |
CP0375662
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| Compound Name |
methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-6-hydroxy-2-methyl-19-[(3,4,5-trihydroxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
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| Structure |
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| Formula |
C29H30N2O9
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| Molecular Weight |
550.564
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| Canonical SMILES |
COC(=O)[C@]1(COC(=O)c2cc(O)c(O)c(O)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(O)ccc4N(C)[C@]31O2
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| InChI |
InChI=1S/C29H30N2O9/c1-4-14-12-31-22-10-17(14)27(26(37)38-3,13-39-25(36)15-7-20(33)24(35)21(34)8-15)28-11-23(31)40-29(22,28)30(2)19-6-5-16(32)9-18(19)28/h4-9,17,22-23,32-35H,10-13H2,1-3H3/b14-4-/t17-,22-,23-,27-,28-,29-/m0/s1
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| InChIKey |
KQUFXNLUYHXCIV-QTRXUKGZSA-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