General Information of the Compound
| Compound ID |
CP0458465
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| Compound Name |
3-[4-[3-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propoxy]phenyl]-2-[[(E)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid
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| Structure |
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| Formula |
C36H34ClNO5
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| Molecular Weight |
596.123
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| Canonical SMILES |
C\C(NC(Cc1ccc(OCCCOc2ccc(\C=C\c3ccc(Cl)cc3)cc2)cc1)C(O)=O)=C/C(=O)c1ccccc1
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| InChI |
InChI=1S/C36H34ClNO5/c1-26(24-35(39)30-6-3-2-4-7-30)38-34(36(40)41)25-29-14-20-33(21-15-29)43-23-5-22-42-32-18-12-28(13-19-32)9-8-27-10-16-31(37)17-11-27/h2-4,6-21,24,34,38H,5,22-23,25H2,1H3,(H,40,41)/b9-8+,26-24+
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| InChIKey |
NHZMLWWPTQXOCI-KFVALODYSA-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