General Information of the Compound
| Compound ID |
CP0113821
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| Compound Name |
(E)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
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| Structure |
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| Formula |
C16H14O
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| Molecular Weight |
222.287
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| Canonical SMILES |
Cc1ccc(\C=C\C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C16H14O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+
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| InChIKey |
XNLFHCPVTULKIV-VAWYXSNFSA-N
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| CAS |
4224-87-7
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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
Protein ID: PT06109, Geminin
Protein ID: PT01743, Polyunsaturated fatty acid 5-lipoxygenase