General Information of the Compound
| Compound ID |
CP0561750
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| Compound Name |
3-[4-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C22H19F4NO3
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| Molecular Weight |
421.39
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| Canonical SMILES |
Cc1cc(CCC(O)=O)ccc1OCc1c(ccn1-c1ccc(F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F4NO3/c1-14-12-15(3-9-21(28)29)2-8-20(14)30-13-19-18(22(24,25)26)10-11-27(19)17-6-4-16(23)5-7-17/h2,4-8,10-12H,3,9,13H2,1H3,(H,28,29)
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| InChIKey |
QHSOFHIZXRQDBL-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