General Information of the Compound
| Compound ID |
CP0545163
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| Compound Name |
methyl 3-[4-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoate
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| Structure |
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| Formula |
C22H17ClF5NO3
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| Molecular Weight |
473.825
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| Canonical SMILES |
COC(=O)CCc1cc(F)c(OCc2c(ccn2-c2ccc(Cl)cc2)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C22H17ClF5NO3/c1-31-20(30)7-2-13-10-17(24)21(18(25)11-13)32-12-19-16(22(26,27)28)8-9-29(19)15-5-3-14(23)4-6-15/h3-6,8-11H,2,7,12H2,1H3
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| InChIKey |
CQZBQLOYEXIMFO-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