General Information of the Compound
| Compound ID |
CP0520401
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| Compound Name |
(E)-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(3-piperazin-1-ylphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C22H26N2O4
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| Molecular Weight |
382.46
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| Canonical SMILES |
COc1cc(OC)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(O)c1C
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| InChI |
InChI=1S/C22H26N2O4/c1-15-19(27-2)14-20(28-3)21(22(15)26)18(25)8-7-16-5-4-6-17(13-16)24-11-9-23-10-12-24/h4-8,13-14,23,26H,9-12H2,1-3H3/b8-7+
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| InChIKey |
HZYIXHJGPMSMAU-BQYQJAHWSA-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