General Information of the Compound
| Compound ID |
CP0415955
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| Compound Name |
(2S,3R,4S,5R)-2-[1-[(4-cyclopropylphenyl)methyl]indol-3-yl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C23H25NO4
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| Molecular Weight |
379.456
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| Canonical SMILES |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)c1cn(Cc2ccc(cc2)C2CC2)c2ccccc12
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| InChI |
InChI=1S/C23H25NO4/c25-20-13-28-23(22(27)21(20)26)18-12-24(19-4-2-1-3-17(18)19)11-14-5-7-15(8-6-14)16-9-10-16/h1-8,12,16,20-23,25-27H,9-11,13H2/t20-,21+,22-,23+/m1/s1
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| InChIKey |
KWHMRNGXOWLPAR-ACESQOTJSA-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