General Information of the Compound
| Compound ID |
CP0469476
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| Compound Name |
(E)-1-[2-hydroxy-4,6-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3-(3-piperazin-1-ylphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H32N2O4
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| Molecular Weight |
436.552
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| Canonical SMILES |
COc1cc(OC)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(O)c1CC=C(C)C
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| InChI |
InChI=1S/C26H32N2O4/c1-18(2)8-10-21-23(31-3)17-24(32-4)25(26(21)30)22(29)11-9-19-6-5-7-20(16-19)28-14-12-27-13-15-28/h5-9,11,16-17,27,30H,10,12-15H2,1-4H3/b11-9+
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| InChIKey |
VGGWXFSSGAQHBY-PKNBQFBNSA-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