General Information of the Compound
| Compound ID |
CP0399746
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| Compound Name |
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(3-m-tolyl-propyl)-phenyl]-tetrahydro-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H28O5
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| Molecular Weight |
372.461
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| Canonical SMILES |
Cc1cccc(CCCc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
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| InChI |
InChI=1S/C22H28O5/c1-14-5-2-6-15(11-14)7-3-8-16-9-4-10-17(12-16)22-21(26)20(25)19(24)18(13-23)27-22/h2,4-6,9-12,18-26H,3,7-8,13H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
BAEHLOKQHJJZMX-BDHVOXNPSA-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