General Information of the Compound
| Compound ID |
CP0386496
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| Compound Name |
3-[4-[2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenoxy]ethoxy]phenyl]-2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid
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| Structure |
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| Formula |
C36H35NO5
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| Molecular Weight |
561.678
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| Canonical SMILES |
C\C(NC(Cc1ccc(OCCOc2ccc(\C=C\c3ccc(C)cc3)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
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| InChI |
InChI=1S/C36H35NO5/c1-26-8-10-28(11-9-26)12-13-29-14-18-32(19-15-29)41-22-23-42-33-20-16-30(17-21-33)25-34(36(39)40)37-27(2)24-35(38)31-6-4-3-5-7-31/h3-21,24,34,37H,22-23,25H2,1-2H3,(H,39,40)/b13-12+,27-24+
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| InChIKey |
HIPZCDIBYWMBCR-PDHZJVROSA-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