General Information of the Compound
| Compound ID |
CP0462150
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| Compound Name |
(E)-4-[4-[[4-hydroxy-2-propan-2-yl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-3-methylphenyl]-2,2-dimethyl-N-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)but-3-enamide
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| Structure |
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| Formula |
C37H53N3O8
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| Molecular Weight |
667.844
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| Canonical SMILES |
CC(C)c1cc(O)c(cc1Cc1ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(=O)N2CCNCC2)cc1C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C37H53N3O8/c1-21(2)26-19-28(42)27(33-32(45)31(44)30(43)29(20-41)48-33)18-25(26)17-24-9-8-23(16-22(24)3)10-11-36(4,5)34(46)39-37(6,7)35(47)40-14-12-38-13-15-40/h8-11,16,18-19,21,29-33,38,41-45H,12-15,17,20H2,1-7H3,(H,39,46)/b11-10+/t29-,30-,31+,32-,33+/m1/s1
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| InChIKey |
SLHOFWQXEWMLHS-GFRMSTONSA-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