General Information of the Compound
| Compound ID |
CP0335581
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| Compound Name |
4-[4,5-bis(2-fluoro-4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
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| Structure |
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| Formula |
C25H20F3NO3
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| Molecular Weight |
439.433
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| Canonical SMILES |
CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1F)-c1ccc(O)cc1F
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| InChI |
InChI=1S/C25H20F3NO3/c1-2-9-29-24(18-7-4-15(31)11-22(18)27)13-20(17-6-3-14(30)10-21(17)26)25(29)19-8-5-16(32)12-23(19)28/h3-8,10-13,30-32H,2,9H2,1H3
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| InChIKey |
LSPMQVTZNPQXAR-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