General Information of the Compound
| Compound ID |
CP0488146
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| Compound Name |
N-[[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]methyl]-N-methylbenzamide
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| Structure |
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| Formula |
C28H30ClNO6
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| Molecular Weight |
512.002
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| Canonical SMILES |
CN(Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C28H30ClNO6/c1-30(28(35)19-5-3-2-4-6-19)15-18-9-7-17(8-10-18)13-21-14-20(11-12-22(21)29)27-26(34)25(33)24(32)23(16-31)36-27/h2-12,14,23-27,31-34H,13,15-16H2,1H3/t23-,24-,25+,26-,27+/m1/s1
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| InChIKey |
YKRBXSNVGLHYGK-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