General Information of the Compound
| Compound ID |
CP0489165
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| Compound Name |
ethyl 2-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-1,3-thiazole-5-carboxylate
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| Structure |
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| Formula |
C19H22ClNO7S
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| Molecular Weight |
443.905
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| Canonical SMILES |
CCOC(=O)c1cnc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
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| InChI |
InChI=1S/C19H22ClNO7S/c1-2-27-19(26)13-7-21-14(29-13)6-10-5-9(3-4-11(10)20)18-17(25)16(24)15(23)12(8-22)28-18/h3-5,7,12,15-18,22-25H,2,6,8H2,1H3/t12-,15-,16+,17-,18+/m1/s1
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| InChIKey |
MKKAJCHXTGMDHD-CUWKQTPXSA-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