General Information of the Compound
| Compound ID |
CP0446871
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| Compound Name |
3-[4-[[3-(4-bromophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]-3,5-difluorophenyl]propanoic acid
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| Structure |
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| Formula |
C20H13BrF5NO4
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| Molecular Weight |
506.221
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| Canonical SMILES |
OC(=O)CCc1cc(F)c(OCc2c(noc2C(F)(F)F)-c2ccc(Br)cc2)c(F)c1
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| InChI |
InChI=1S/C20H13BrF5NO4/c21-12-4-2-11(3-5-12)17-13(19(31-27-17)20(24,25)26)9-30-18-14(22)7-10(8-15(18)23)1-6-16(28)29/h2-5,7-8H,1,6,9H2,(H,28,29)
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| InChIKey |
BNPJHZGRWCJNDD-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