General Information of the Compound
| Compound ID |
CP0401043
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| Compound Name |
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxypyridin-2-yl)phenyl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C28H30N2O5
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| Molecular Weight |
474.557
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ccc(OC)cn1)C(=O)C1CC1
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| InChI |
InChI=1S/C28H30N2O5/c1-4-30(28(33)19-6-7-19)17-21-15-20(25-11-9-22(34-2)16-29-25)8-10-23(21)24-13-18(14-27(31)32)5-12-26(24)35-3/h5,8-13,15-16,19H,4,6-7,14,17H2,1-3H3,(H,31,32)
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| InChIKey |
JELRQODXPDQHAN-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