General Information of the Compound
| Compound ID |
CP0546994
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| Compound Name |
3-[4-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C23H21ClF3NO3
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| Molecular Weight |
451.872
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| Canonical SMILES |
Cc1c(C)c(OCc2c(ccn2-c2ccc(Cl)cc2)C(F)(F)F)ccc1CCC(O)=O
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| InChI |
InChI=1S/C23H21ClF3NO3/c1-14-15(2)21(9-3-16(14)4-10-22(29)30)31-13-20-19(23(25,26)27)11-12-28(20)18-7-5-17(24)6-8-18/h3,5-9,11-12H,4,10,13H2,1-2H3,(H,29,30)
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| InChIKey |
NAILZXWBWDHVDD-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