General Information of the Compound
| Compound ID |
CP0546993
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| Compound Name |
3-[4-[[3-bromo-1-(4-chlorophenyl)pyrrol-2-yl]methoxy]-2,3-difluorophenyl]propanoic acid
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| Structure |
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| Formula |
C20H15BrClF2NO3
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| Molecular Weight |
470.697
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2c(Br)ccn2-c2ccc(Cl)cc2)c(F)c1F
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| InChI |
InChI=1S/C20H15BrClF2NO3/c21-15-9-10-25(14-5-3-13(22)4-6-14)16(15)11-28-17-7-1-12(2-8-18(26)27)19(23)20(17)24/h1,3-7,9-10H,2,8,11H2,(H,26,27)
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| InChIKey |
KQJPJXGUOSDTCQ-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