General Information of the Compound
| Compound ID |
CP0406064
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| Compound Name |
3-[4-(benzylamino)phenyl]propanoic acid
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| Structure |
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| Formula |
C16H17NO2
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| Molecular Weight |
255.317
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| Canonical SMILES |
OC(=O)CCc1ccc(NCc2ccccc2)cc1
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| InChI |
InChI=1S/C16H17NO2/c18-16(19)11-8-13-6-9-15(10-7-13)17-12-14-4-2-1-3-5-14/h1-7,9-10,17H,8,11-12H2,(H,18,19)
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| InChIKey |
VKBHMJRMZCSLNV-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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4