General Information of the Compound
| Compound ID |
CP0438080
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| Compound Name |
3-(4-{[(2',6'-Dimethylbiphenyl-3-yl)methyl]amino}phenyl)-propanoic Acid
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| Structure |
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| Formula |
C24H25NO2
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| Molecular Weight |
359.469
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
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| InChI |
InChI=1S/C24H25NO2/c1-17-5-3-6-18(2)24(17)21-8-4-7-20(15-21)16-25-22-12-9-19(10-13-22)11-14-23(26)27/h3-10,12-13,15,25H,11,14,16H2,1-2H3,(H,26,27)
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| InChIKey |
YWDUHBPOESMJAK-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