General Information of the Compound
| Compound ID |
CP0508466
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| Compound Name |
4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C20H22ClNO6
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| Molecular Weight |
407.85
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| Canonical SMILES |
NC(=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C20H22ClNO6/c21-14-6-5-12(19-18(26)17(25)16(24)15(9-23)28-19)8-13(14)7-10-1-3-11(4-2-10)20(22)27/h1-6,8,15-19,23-26H,7,9H2,(H2,22,27)/t15-,16-,17+,18-,19+/m1/s1
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| InChIKey |
NOHPMQDMMMBVEF-FQBWVUSXSA-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