General Information of the Compound
| Compound ID |
CP0380109
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| Compound Name |
2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]-3-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenoxy]ethoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C36H32F3NO5
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| Molecular Weight |
615.648
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| Canonical SMILES |
C\C(NC(Cc1ccc(OCCOc2ccc(\C=C\c3ccc(cc3)C(F)(F)F)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
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| InChI |
InChI=1S/C36H32F3NO5/c1-25(23-34(41)29-5-3-2-4-6-29)40-33(35(42)43)24-28-13-19-32(20-14-28)45-22-21-44-31-17-11-27(12-18-31)8-7-26-9-15-30(16-10-26)36(37,38)39/h2-20,23,33,40H,21-22,24H2,1H3,(H,42,43)/b8-7+,25-23+
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| InChIKey |
OKMUEACCCPINBF-QWYPLIDPSA-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