General Information of the Compound
| Compound ID |
CP0455863
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| Compound Name |
(E)-N-(1-hydroxy-2-methylpropan-2-yl)-4-[4-[[4-methoxy-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-dimethylbut-3-enamide
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| Structure |
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| Formula |
C34H49NO8
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| Molecular Weight |
599.765
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| Canonical SMILES |
COc1cc(C(C)C)c(Cc2ccc(\C=C\C(C)(C)C(=O)NC(C)(C)CO)cc2C)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C34H49NO8/c1-19(2)24-16-26(42-8)25(31-30(40)29(39)28(38)27(17-36)43-31)15-23(24)14-22-10-9-21(13-20(22)3)11-12-33(4,5)32(41)35-34(6,7)18-37/h9-13,15-16,19,27-31,36-40H,14,17-18H2,1-8H3,(H,35,41)/b12-11+/t27-,28-,29+,30-,31+/m1/s1
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| InChIKey |
MDDPBPFRJOLZQQ-JMDDWNQGSA-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