General Information of the Compound
| Compound ID |
CP0388374
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| Compound Name |
(2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(2-(dimethylamino)ethoxy)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H32ClNO6
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| Molecular Weight |
465.974
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OCCN(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C24H32ClNO6/c1-4-30-18-8-5-15(6-9-18)13-17-14-16(7-10-19(17)25)23-21(28)20(27)22(29)24(32-23)31-12-11-26(2)3/h5-10,14,20-24,27-29H,4,11-13H2,1-3H3/t20-,21-,22+,23+,24?/m1/s1
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| InChIKey |
AKPQPDAOEGXSIR-SFGZKKEESA-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