General Information of the Compound
| Compound ID |
CP0875197
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| Compound Name |
3-(beta-D-Glucopyranosyloxy)-4-[(4-isobutylphenyl)methyl]-5-methyl-1H-pyrazole
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| Structure |
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| Formula |
C21H30N2O6
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| Molecular Weight |
406.479
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| Canonical SMILES |
Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CC(C)C)cc1
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| InChI |
InChI=1S/C21H30N2O6/c1-11(2)8-13-4-6-14(7-5-13)9-15-12(3)22-23-20(15)29-21-19(27)18(26)17(25)16(10-24)28-21/h4-7,11,16-19,21,24-27H,8-10H2,1-3H3,(H,22,23)/t16-,17-,18+,19-,21+/m1/s1
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| InChIKey |
XQZURHJEGXTBOA-YRIDSSQKSA-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