General Information of the Compound
| Compound ID |
CP0467887
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| Compound Name |
(E)-1-(3-ethyl-2-hydroxy-4,6-dimethoxyphenyl)-3-(3-piperazin-1-ylphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C23H28N2O4
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| Molecular Weight |
396.487
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| Canonical SMILES |
CCc1c(O)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)cc1OC
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| InChI |
InChI=1S/C23H28N2O4/c1-4-18-20(28-2)15-21(29-3)22(23(18)27)19(26)9-8-16-6-5-7-17(14-16)25-12-10-24-11-13-25/h5-9,14-15,24,27H,4,10-13H2,1-3H3/b9-8+
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| InChIKey |
KHQMQWXGMJHNEF-CMDGGOBGSA-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