General Information of the Compound
| Compound ID |
CP0377498
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| Compound Name |
3-(4-{[(3-bromophenyl)methyl]amino}phenyl)propanoic acid
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| Structure |
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| Formula |
C16H16BrNO2
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| Molecular Weight |
334.213
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| Canonical SMILES |
OC(=O)CCc1ccc(NCc2cccc(Br)c2)cc1
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| InChI |
InChI=1S/C16H16BrNO2/c17-14-3-1-2-13(10-14)11-18-15-7-4-12(5-8-15)6-9-16(19)20/h1-5,7-8,10,18H,6,9,11H2,(H,19,20)
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| InChIKey |
DYTMZTWHJZNJMP-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