General Information of the Compound
| Compound ID |
CP0379476
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| Compound Name |
3-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(3-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C17H19NO4
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| Molecular Weight |
301.342
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| Canonical SMILES |
Cc1cc(C(=O)NC(CC(O)=O)c2cccc(C)c2)c(C)o1
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| InChI |
InChI=1S/C17H19NO4/c1-10-5-4-6-13(7-10)15(9-16(19)20)18-17(21)14-8-11(2)22-12(14)3/h4-8,15H,9H2,1-3H3,(H,18,21)(H,19,20)
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| InChIKey |
PRYMFKVJZPYCDG-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