General Information of the Compound
| Compound ID |
CP0483824
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[3-[(4-cyclopentylphenyl)methyl]-4-fluoroindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C26H30FNO5
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| Molecular Weight |
455.526
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CCCC2)c2c(F)cccc12
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| InChI |
InChI=1S/C26H30FNO5/c27-19-6-3-7-20-22(19)18(12-15-8-10-17(11-9-15)16-4-1-2-5-16)13-28(20)26-25(32)24(31)23(30)21(14-29)33-26/h3,6-11,13,16,21,23-26,29-32H,1-2,4-5,12,14H2/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
QVSVWXHWIOSRTE-XDXGNBCUSA-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