General Information of the Compound
| Compound ID |
CP0490840
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| Compound Name |
(E)-N-[1-[(2-amino-2-methylpropyl)amino]-2-methyl-1-oxopropan-2-yl]-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-dimethylbut-3-enamide
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| Structure |
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| Formula |
C37H55N3O8
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| Molecular Weight |
669.86
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| Canonical SMILES |
CC(C)c1cc(O)c(cc1Cc1ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(=O)NCC(C)(C)N)cc1C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C37H55N3O8/c1-20(2)25-17-27(42)26(32-31(45)30(44)29(43)28(18-41)48-32)16-24(25)15-23-11-10-22(14-21(23)3)12-13-35(4,5)33(46)40-37(8,9)34(47)39-19-36(6,7)38/h10-14,16-17,20,28-32,41-45H,15,18-19,38H2,1-9H3,(H,39,47)(H,40,46)/b13-12+/t28-,29-,30+,31-,32+/m1/s1
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| InChIKey |
RAFSJONYFJBBHB-GPPPYNACSA-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