General Information of the Compound
| Compound ID |
CP0483825
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[3-[(4-chlorophenyl)methyl]-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C21H21ClFNO5
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| Molecular Weight |
421.852
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(Cl)cc2)c2c(F)cccc12
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| InChI |
InChI=1S/C21H21ClFNO5/c22-13-6-4-11(5-7-13)8-12-9-24(15-3-1-2-14(23)17(12)15)21-20(28)19(27)18(26)16(10-25)29-21/h1-7,9,16,18-21,25-28H,8,10H2/t16-,18-,19+,20-,21-/m1/s1
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| InChIKey |
OKWVXYZRABZRHK-QNDFHXLGSA-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