General Information of the Compound
| Compound ID |
CP0559877
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| Compound Name |
(E)-1-(2-hydroxy-4,6-dimethoxy-3-propylphenyl)-3-(3-piperazin-1-ylphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C24H30N2O4
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| Molecular Weight |
410.514
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| Canonical SMILES |
CCCc1c(O)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)cc1OC
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| InChI |
InChI=1S/C24H30N2O4/c1-4-6-19-21(29-2)16-22(30-3)23(24(19)28)20(27)10-9-17-7-5-8-18(15-17)26-13-11-25-12-14-26/h5,7-10,15-16,25,28H,4,6,11-14H2,1-3H3/b10-9+
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| InChIKey |
MQSLLOIUWQIXTE-MDZDMXLPSA-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