General Information of the Compound
| Compound ID |
CP0277299
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| Compound Name |
biarylether alcohol quinoline, 9b
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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 |
Oc1ccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
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| InChI |
InChI=1S/C29H20F3NO2/c30-29(31,32)26-11-5-10-25-27(21(18-33-28(25)26)16-19-6-2-1-3-7-19)20-8-4-9-24(17-20)35-23-14-12-22(34)13-15-23/h1-15,17-18,34H,16H2
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| InChIKey |
UKWXHXYFJQOHLJ-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