General Information of the Compound
| Compound ID |
CP0952126
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| Compound Name |
O-Benzyl-N-[(2E)-3-(4'-chlorobiphenyl-4-yl)propa-2-enoyl]tyrosine
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| Structure |
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| Formula |
C31H26ClNO4
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| Molecular Weight |
512.005
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| Canonical SMILES |
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)cc1)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
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| InChI |
InChI=1S/C31H26ClNO4/c32-27-15-13-26(14-16-27)25-11-6-22(7-12-25)10-19-30(34)33-29(31(35)36)20-23-8-17-28(18-9-23)37-21-24-4-2-1-3-5-24/h1-19,29H,20-21H2,(H,33,34)(H,35,36)/b19-10+
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| InChIKey |
QPRREELAPZFVLQ-VXLYETTFSA-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