General Information of the Compound
| Compound ID |
CP0432471
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| Compound Name |
2-methyl-3-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid
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| Structure |
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| Formula |
C23H23NO3
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| Molecular Weight |
361.441
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| Canonical SMILES |
CC(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)C(O)=O
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| InChI |
InChI=1S/C23H23NO3/c1-17(23(25)26)14-18-10-12-20(13-11-18)24-16-19-6-5-9-22(15-19)27-21-7-3-2-4-8-21/h2-13,15,17,24H,14,16H2,1H3,(H,25,26)
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| InChIKey |
UUHXKXNZMPQXFC-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