General Information of the Compound
| Compound ID |
CP0513879
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| Compound Name |
3-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methylamino]phenyl]propanoic acid
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| Structure |
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| Formula |
C23H22FNO2
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| Molecular Weight |
363.432
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| Canonical SMILES |
Cc1ccccc1-c1cccc(CNc2ccc(CCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C23H22FNO2/c1-16-5-2-3-8-21(16)19-7-4-6-17(13-19)15-25-20-11-9-18(22(24)14-20)10-12-23(26)27/h2-9,11,13-14,25H,10,12,15H2,1H3,(H,26,27)
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| InChIKey |
LSLSCWLXHGWMDU-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