General Information of the Compound
| Compound ID |
CP0537986
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| Compound Name |
(E)-1-(2-hydroxy-4,6-dimethoxy-3-pentylphenyl)-3-(3-piperazin-1-ylphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H34N2O4
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| Molecular Weight |
438.568
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| Canonical SMILES |
CCCCCc1c(O)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)cc1OC
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| InChI |
InChI=1S/C26H34N2O4/c1-4-5-6-10-21-23(31-2)18-24(32-3)25(26(21)30)22(29)12-11-19-8-7-9-20(17-19)28-15-13-27-14-16-28/h7-9,11-12,17-18,27,30H,4-6,10,13-16H2,1-3H3/b12-11+
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| InChIKey |
IRFTZWVRVDGXKD-VAWYXSNFSA-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