General Information of the Compound
| Compound ID |
CP0424428
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| Compound Name |
2-[4-[[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]methyl]phenyl]acetic acid
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| Structure |
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| Formula |
C28H25NO5
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| Molecular Weight |
455.51
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| Canonical SMILES |
CN(Cc1ccccc1OCc1ccc(CC(O)=O)cc1)C(=O)c1ccc(cc1)-c1ccco1
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| InChI |
InChI=1S/C28H25NO5/c1-29(28(32)23-14-12-22(13-15-23)25-7-4-16-33-25)18-24-5-2-3-6-26(24)34-19-21-10-8-20(9-11-21)17-27(30)31/h2-16H,17-19H2,1H3,(H,30,31)
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| InChIKey |
RTCGQTKMNNJMFH-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