General Information of the Compound
| Compound ID |
CP0517147
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| Compound Name |
3-Benzyl-6-chloro-5-fluoro-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C20H19ClFNO4
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| Molecular Weight |
391.826
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| Canonical SMILES |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccccc2)c2cc(F)c(Cl)cc12
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| InChI |
InChI=1S/C20H19ClFNO4/c21-14-8-16-13(7-15(14)22)12(6-11-4-2-1-3-5-11)9-23(16)20-19(26)18(25)17(24)10-27-20/h1-5,7-9,17-20,24-26H,6,10H2/t17-,18+,19-,20-/m1/s1
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| InChIKey |
BCNHYMRFEXWESU-IYWMVGAKSA-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