General Information of the Compound
| Compound ID |
CP0504721
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| Compound Name |
(2R,3S,4R,6R)-6-(3-(4-ethylbenzyl)-4-methylphenyl)-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol
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| Structure |
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| Formula |
C22H28O4
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| Molecular Weight |
356.462
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| Canonical SMILES |
CCc1ccc(Cc2cc(ccc2C)[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)cc1
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| InChI |
InChI=1S/C22H28O4/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)20-12-19(24)22(25)21(13-23)26-20/h4-9,11,19-25H,3,10,12-13H2,1-2H3/t19-,20-,21-,22+/m1/s1
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| InChIKey |
PDKMPBWKXXEKCR-YSFYHYPLSA-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