General Information of the Compound
| Compound ID |
CP0106854
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| Compound Name |
biarylether alcohol quinoline, 5c
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| Structure |
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| Formula |
C29H20F3NO2
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| Molecular Weight |
471.478
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| Canonical SMILES |
OCc1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)c1
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| InChI |
InChI=1S/C29H20F3NO2/c30-29(31,32)26-14-6-13-24-27(25(17-33-28(24)26)20-8-2-1-3-9-20)21-10-5-12-23(16-21)35-22-11-4-7-19(15-22)18-34/h1-17,34H,18H2
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| InChIKey |
UMPNKZORJDFNCA-UHFFFAOYSA-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