General Information of the Compound
| Compound ID |
CP0561843
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-[(E)-3,3-dimethylbutoxyiminomethyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C27H36ClNO6
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| Molecular Weight |
506.039
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\OCCC(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C27H36ClNO6/c1-5-33-20-9-6-17(7-10-20)14-19-15-18(8-11-21(19)28)26-25(32)24(31)23(30)22(35-26)16-29-34-13-12-27(2,3)4/h6-11,15-16,22-26,30-32H,5,12-14H2,1-4H3/b29-16+/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
HSODZBRTVZHOFN-TUMTUBDOSA-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