General Information of the Compound
| Compound ID |
CP0375175
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| Compound Name |
(2S,3R,4R,5R)-2-[3-(1,3-benzodioxol-5-ylmethyl)-4-chlorophenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C20H21ClO7
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| Molecular Weight |
408.834
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| Canonical SMILES |
OC[C@@H](O)[C@H]1O[C@H]([C@H](O)[C@H]1O)c1ccc(Cl)c(Cc2ccc3OCOc3c2)c1
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| InChI |
InChI=1S/C20H21ClO7/c21-13-3-2-11(19-17(24)18(25)20(28-19)14(23)8-22)7-12(13)5-10-1-4-15-16(6-10)27-9-26-15/h1-4,6-7,14,17-20,22-25H,5,8-9H2/t14-,17-,18-,19+,20-/m1/s1
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| InChIKey |
WZGATMGZVPQHSV-MRBRGOBGSA-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