General Information of the Compound
| Compound ID |
CP0536982
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-[[2-(4-nitrophenyl)hydrazinyl]methyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C27H30ClN3O7
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| Molecular Weight |
544.004
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CNNc3ccc(cc3)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C27H30ClN3O7/c1-2-37-21-10-3-16(4-11-21)13-18-14-17(5-12-22(18)28)27-26(34)25(33)24(32)23(38-27)15-29-30-19-6-8-20(9-7-19)31(35)36/h3-12,14,23-27,29-30,32-34H,2,13,15H2,1H3/t23-,24-,25+,26-,27+/m1/s1
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| InChIKey |
WKEIWHWLHVMMTM-SEFGFODJSA-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