General Information of the Compound
| Compound ID |
CP0467949
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| Compound Name |
(E)-1-(2,4-dimethoxyphenyl)-3-(3-piperazin-1-ylphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C21H24N2O3
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| Molecular Weight |
352.434
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| Canonical SMILES |
COc1ccc(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)c1
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| InChI |
InChI=1S/C21H24N2O3/c1-25-18-7-8-19(21(15-18)26-2)20(24)9-6-16-4-3-5-17(14-16)23-12-10-22-11-13-23/h3-9,14-15,22H,10-13H2,1-2H3/b9-6+
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| InChIKey |
OMYLBRKGEZTMGC-RMKNXTFCSA-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