General Information of the Compound
| Compound ID |
CP0539938
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| Compound Name |
3-(2-bromophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoic acid
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| Structure |
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| Formula |
C16H16BrNO4
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| Molecular Weight |
366.211
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| Canonical SMILES |
Cc1cc(C(=O)NC(CC(O)=O)c2ccccc2Br)c(C)o1
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| InChI |
InChI=1S/C16H16BrNO4/c1-9-7-12(10(2)22-9)16(21)18-14(8-15(19)20)11-5-3-4-6-13(11)17/h3-7,14H,8H2,1-2H3,(H,18,21)(H,19,20)
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| InChIKey |
XBBWMQSINIVFNN-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