General Information of the Compound
| Compound ID |
CP0563817
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H29ClN4O5
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| Molecular Weight |
488.972
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NC3=NCCN3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C24H29ClN4O5/c1-2-33-17-6-3-14(4-7-17)11-16-12-15(5-8-18(16)25)23-22(32)21(31)20(30)19(34-23)13-28-29-24-26-9-10-27-24/h3-8,12-13,19-23,30-32H,2,9-11H2,1H3,(H2,26,27,29)/b28-13+/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
SRBUUIHZLVIYAX-URUPTLBLSA-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