General Information of the Compound
| Compound ID |
CP0559044
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| Compound Name |
N-[(E)-[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methylideneamino]acetamide
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| Structure |
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| Formula |
C23H27ClN2O6
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| Molecular Weight |
462.93
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](\C=N\NC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C23H27ClN2O6/c1-3-31-17-7-4-14(5-8-17)10-16-11-15(6-9-18(16)24)23-22(30)21(29)20(28)19(32-23)12-25-26-13(2)27/h4-9,11-12,19-23,28-30H,3,10H2,1-2H3,(H,26,27)/b25-12+/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
MRPDUFSWXJLYLI-VASLDGHGSA-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