General Information of the Compound
| Compound ID |
CP0383556
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| Compound Name |
(1Z,4Z)–1-5-Bis[2,3(dimethoxy)phenyl]-1,4- pentadien-3-one (9)
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| Structure |
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| Formula |
C21H22O5
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| Molecular Weight |
354.402
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| Canonical SMILES |
COc1cccc(\C=C\C(=O)\C=C\c2cccc(OC)c2OC)c1OC
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| InChI |
InChI=1S/C21H22O5/c1-23-18-9-5-7-15(20(18)25-3)11-13-17(22)14-12-16-8-6-10-19(24-2)21(16)26-4/h5-14H,1-4H3/b13-11+,14-12+
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| InChIKey |
LSNRKPCFLXRJGN-PHEQNACWSA-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