General Information of the Compound
| Compound ID |
CP0409136
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| Compound Name |
(2S,3R,4S,5R)-2-[1-[(4-propylphenyl)methyl]indol-3-yl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C23H27NO4
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| Molecular Weight |
381.472
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| Canonical SMILES |
CCCc1ccc(Cn2cc([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)cc1
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| InChI |
InChI=1S/C23H27NO4/c1-2-5-15-8-10-16(11-9-15)12-24-13-18(17-6-3-4-7-19(17)24)23-22(27)21(26)20(25)14-28-23/h3-4,6-11,13,20-23,25-27H,2,5,12,14H2,1H3/t20-,21+,22-,23+/m1/s1
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| InChIKey |
CWTQWNARRLXXPF-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