General Information of the Compound
| Compound ID |
CP0428510
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| Compound Name |
2-[3-[4-(3-fluoro-4-hydroxyphenyl)phenyl]propanoylamino]benzoic acid
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| Structure |
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| Formula |
C22H18FNO4
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| Molecular Weight |
379.387
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| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)c(F)c1
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| InChI |
InChI=1S/C22H18FNO4/c23-18-13-16(10-11-20(18)25)15-8-5-14(6-9-15)7-12-21(26)24-19-4-2-1-3-17(19)22(27)28/h1-6,8-11,13,25H,7,12H2,(H,24,26)(H,27,28)
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| InChIKey |
BAFFLNNSUBCTIE-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