General Information of the Compound
| Compound ID |
CP0373411
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| Compound Name |
3-Benzyl-4-fluoro-1-(beta-D-xylopyranosyl)-1H-indole
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| Structure |
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| Formula |
C20H20FNO4
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| Molecular Weight |
357.381
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| Canonical SMILES |
O[C@@H]1CO[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccccc2)c2c(F)cccc12
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| InChI |
InChI=1S/C20H20FNO4/c21-14-7-4-8-15-17(14)13(9-12-5-2-1-3-6-12)10-22(15)20-19(25)18(24)16(23)11-26-20/h1-8,10,16,18-20,23-25H,9,11H2/t16-,18+,19-,20-/m1/s1
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| InChIKey |
WPNLILJIAKKMSE-GSEOLPGOSA-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