General Information of the Compound
| Compound ID |
CP0488883
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| Compound Name |
1-(beta-D-Glucopyranosyl)-4-chloro-3-(1-phenyl-1H-pyrazol-4-ylmethyl)benzene
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| Structure |
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| Formula |
C22H23ClN2O6
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| Molecular Weight |
446.887
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc(Cl)c2Cc2cnn(c2)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C22H23ClN2O6/c23-16-7-4-8-17(30-22-21(29)20(28)19(27)18(12-26)31-22)15(16)9-13-10-24-25(11-13)14-5-2-1-3-6-14/h1-8,10-11,18-22,26-29H,9,12H2/t18-,19-,20+,21-,22-/m1/s1
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| InChIKey |
VRGBZYXLARHUGM-QMCAAQAGSA-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