General Information of the Compound
| Compound ID |
CP0507338
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| Compound Name |
(2S,3R,4S,5R)-2-[1-[(4-tert-butylphenyl)methyl]indol-3-yl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H29NO4
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| Molecular Weight |
395.499
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| Canonical SMILES |
CC(C)(C)c1ccc(Cn2cc([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)cc1
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| InChI |
InChI=1S/C24H29NO4/c1-24(2,3)16-10-8-15(9-11-16)12-25-13-18(17-6-4-5-7-19(17)25)23-22(28)21(27)20(26)14-29-23/h4-11,13,20-23,26-28H,12,14H2,1-3H3/t20-,21+,22-,23+/m1/s1
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| InChIKey |
XCFLMGSSVRIPKJ-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