General Information of the Compound
| Compound ID |
CP0469596
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| Compound Name |
3-[4-[[1-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoic acid
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| Structure |
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| Formula |
C21H14ClF6NO3
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| Molecular Weight |
477.788
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| Canonical SMILES |
OC(=O)CCc1cc(F)c(OCc2c(ccn2-c2ccc(Cl)cc2F)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C21H14ClF6NO3/c22-12-2-3-17(14(23)9-12)29-6-5-13(21(26,27)28)18(29)10-32-20-15(24)7-11(8-16(20)25)1-4-19(30)31/h2-3,5-9H,1,4,10H2,(H,30,31)
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| InChIKey |
PYJYVJYXEJDCIW-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