General Information of the Compound
| Compound ID |
CP0561747
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| Compound Name |
3-[3,5-difluoro-4-[[1-(3-fluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C21H15F6NO3
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| Molecular Weight |
443.343
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| Canonical SMILES |
OC(=O)CCc1cc(F)c(OCc2c(ccn2-c2cccc(F)c2)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C21H15F6NO3/c22-13-2-1-3-14(10-13)28-7-6-15(21(25,26)27)18(28)11-31-20-16(23)8-12(9-17(20)24)4-5-19(29)30/h1-3,6-10H,4-5,11H2,(H,29,30)
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| InChIKey |
HJFLCNKHMKXNTP-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