General Information of the Compound
| Compound ID |
CP0506999
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| Compound Name |
2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]-3-[4-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C35H33NO5
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| Molecular Weight |
547.651
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| Canonical SMILES |
C\C(NC(Cc1ccc(OCCOc2ccc(\C=C\c3ccccc3)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
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| InChI |
InChI=1S/C35H33NO5/c1-26(24-34(37)30-10-6-3-7-11-30)36-33(35(38)39)25-29-16-20-32(21-17-29)41-23-22-40-31-18-14-28(15-19-31)13-12-27-8-4-2-5-9-27/h2-21,24,33,36H,22-23,25H2,1H3,(H,38,39)/b13-12+,26-24+
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| InChIKey |
LJCBFOPJUDOLHP-HINCYOGESA-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