General Information of the Compound
| Compound ID |
CP0519320
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| Compound Name |
(E)-3-[4-[(E)-2-phenyl-1-(4-piperidin-1-ylphenyl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C30H31NO2
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| Molecular Weight |
437.583
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| Canonical SMILES |
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)N1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C30H31NO2/c1-2-28(24-9-5-3-6-10-24)30(25-14-11-23(12-15-25)13-20-29(32)33)26-16-18-27(19-17-26)31-21-7-4-8-22-31/h3,5-6,9-20H,2,4,7-8,21-22H2,1H3,(H,32,33)/b20-13+,30-28+
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| InChIKey |
GHVVRDBAHDZAEU-WQRSJGRTSA-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