General Information of the Compound
| Compound ID |
CP0389212
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| Compound Name |
(E)-1-(4'-Fluorophenyl)-3-(3'',4'',5''-trimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C18H17FO4
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| Molecular Weight |
316.328
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccc(F)cc2)cc(OC)c1OC
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| InChI |
InChI=1S/C18H17FO4/c1-21-16-10-12(11-17(22-2)18(16)23-3)4-9-15(20)13-5-7-14(19)8-6-13/h4-11H,1-3H3/b9-4+
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| InChIKey |
WXPAWDMWSJYTRJ-RUDMXATFSA-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
Protein ID: PT06109, Geminin
Protein ID: PT03462, GTPase KRas
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic