General Information of the Compound
| Compound ID |
CP0426535
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| Compound Name |
N-[3-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]propyl]-4-methylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C29H41N3O7
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| Molecular Weight |
543.661
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| Canonical SMILES |
CN1CCN(CC1)C(=O)NCCCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2C)cc1
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| InChI |
InChI=1S/C29H41N3O7/c1-18-14-23(34)22(28-27(37)26(36)25(35)24(17-33)39-28)16-21(18)15-20-7-5-19(6-8-20)4-3-9-30-29(38)32-12-10-31(2)11-13-32/h5-8,14,16,24-28,33-37H,3-4,9-13,15,17H2,1-2H3,(H,30,38)/t24-,25-,26+,27-,28+/m1/s1
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| InChIKey |
RSYHOJZBJOMTRE-DFLSAPQXSA-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