General Information of the Compound
| Compound ID |
CP0953989
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| Compound Name |
O-Benzyl-N-[(2E)-3-(4'-chlorobiphenyl-3-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/c1cccc(-c2ccc(Cl)cc2)c1)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
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| InChI |
InChI=1S/C31H26ClNO4/c32-27-14-12-25(13-15-27)26-8-4-7-22(19-26)11-18-30(34)33-29(31(35)36)20-23-9-16-28(17-10-23)37-21-24-5-2-1-3-6-24/h1-19,29H,20-21H2,(H,33,34)(H,35,36)/b18-11+
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| InChIKey |
OECPSUKWTQOLCZ-WOJGMQOQSA-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