General Information of the Compound
| Compound ID |
CP0957420
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| Compound Name |
4-(2-Phenylethyl)-1H-indazol-3-yl beta-D-glucopyranoside
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| Structure |
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| Formula |
C21H24N2O6
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| Molecular Weight |
400.431
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2n[nH]c3cccc(CCc4ccccc4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C21H24N2O6/c24-11-15-17(25)18(26)19(27)21(28-15)29-20-16-13(7-4-8-14(16)22-23-20)10-9-12-5-2-1-3-6-12/h1-8,15,17-19,21,24-27H,9-11H2,(H,22,23)/t15-,17-,18+,19-,21+/m1/s1
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| InChIKey |
BYFXJMLEXODECX-UVPIGPOJSA-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