General Information of the Compound
| Compound ID |
CP0564808
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| Compound Name |
3-[[2-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]acetyl]amino]propanoic acid
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| Structure |
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| Formula |
C24H24N2O6
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| Molecular Weight |
436.464
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| Canonical SMILES |
CN(Cc1ccccc1OCC(=O)NCCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1
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| InChI |
InChI=1S/C24H24N2O6/c1-26(24(30)18-10-8-17(9-11-18)20-7-4-14-31-20)15-19-5-2-3-6-21(19)32-16-22(27)25-13-12-23(28)29/h2-11,14H,12-13,15-16H2,1H3,(H,25,27)(H,28,29)
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| InChIKey |
QTYMMVNPIKJXTQ-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