General Information of the Compound
| Compound ID |
CP0493902
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| Compound Name |
(E)-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-dimethyl-N-[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]but-3-enamide
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| Structure |
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| Formula |
C40H60N4O8
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| Molecular Weight |
724.94
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| Canonical SMILES |
COc1cc(C(C)C)c(Cc2ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(=O)NCCN3CCNCC3)cc2C)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C40H60N4O8/c1-24(2)29-22-31(51-8)30(36-35(48)34(47)33(46)32(23-45)52-36)21-28(29)20-27-10-9-26(19-25(27)3)11-12-39(4,5)37(49)43-40(6,7)38(50)42-15-18-44-16-13-41-14-17-44/h9-12,19,21-22,24,32-36,41,45-48H,13-18,20,23H2,1-8H3,(H,42,50)(H,43,49)/b12-11+/t32-,33-,34+,35-,36+/m1/s1
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| InChIKey |
RTSHWXBZADMJEC-JPPVAGQJSA-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