General Information of the Compound
| Compound ID |
CP0551300
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| Compound Name |
(E)-N-[1-[(2-amino-2-methylpropyl)amino]-2-methyl-1-oxopropan-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 |
C38H57N3O8
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| Molecular Weight |
683.887
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| Canonical SMILES |
COc1cc(C(C)C)c(Cc2ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(=O)NCC(C)(C)N)cc2C)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C38H57N3O8/c1-21(2)26-18-28(48-10)27(33-32(45)31(44)30(43)29(19-42)49-33)17-25(26)16-24-12-11-23(15-22(24)3)13-14-36(4,5)34(46)41-38(8,9)35(47)40-20-37(6,7)39/h11-15,17-18,21,29-33,42-45H,16,19-20,39H2,1-10H3,(H,40,47)(H,41,46)/b14-13+/t29-,30-,31+,32-,33+/m1/s1
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| InChIKey |
QJVWEELRAXACME-AODBJJFDSA-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