General Information of the Compound
| Compound ID |
CP0501075
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| Compound Name |
3-[4-[[3-(2-ethylphenyl)phenyl]methylamino]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C24H24FNO2
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| Molecular Weight |
377.459
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| Canonical SMILES |
CCc1ccccc1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C24H24FNO2/c1-2-18-7-3-4-9-22(18)20-8-5-6-17(14-20)16-26-21-12-10-19(23(25)15-21)11-13-24(27)28/h3-10,12,14-15,26H,2,11,13,16H2,1H3,(H,27,28)
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| InChIKey |
SJFBPVGDUAXNQJ-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