General Information of the Compound
| Compound ID |
CP0557079
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| Compound Name |
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)phenyl]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(O)c(C(=O)\C=C\c2cccc(c2)N2CCN(C)CC2)c(OC)c1
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| InChI |
InChI=1S/C22H26N2O4/c1-23-9-11-24(12-10-23)17-6-4-5-16(13-17)7-8-19(25)22-20(26)14-18(27-2)15-21(22)28-3/h4-8,13-15,26H,9-12H2,1-3H3/b8-7+
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| InChIKey |
IVXXOWNANLKDHA-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