General Information of the Compound
| Compound ID |
CP0573958
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| Compound Name |
3-[2-chloro-4-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C21H16ClF4NO3
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| Molecular Weight |
441.808
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2c(ccn2-c2ccc(F)cc2)C(F)(F)F)cc1Cl
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| InChI |
InChI=1S/C21H16ClF4NO3/c22-18-11-16(7-1-13(18)2-8-20(28)29)30-12-19-17(21(24,25)26)9-10-27(19)15-5-3-14(23)4-6-15/h1,3-7,9-11H,2,8,12H2,(H,28,29)
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| InChIKey |
IGJDPIDKZDYLQL-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