General Information of the Compound
| Compound ID |
CP0467885
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| Compound Name |
(E)-1-[2-hydroxy-4,6-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C27H34N2O4
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| Molecular Weight |
450.579
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| Canonical SMILES |
COc1cc(OC)c(C(=O)\C=C\c2cccc(c2)N2CCN(C)CC2)c(O)c1CC=C(C)C
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| InChI |
InChI=1S/C27H34N2O4/c1-19(2)9-11-22-24(32-4)18-25(33-5)26(27(22)31)23(30)12-10-20-7-6-8-21(17-20)29-15-13-28(3)14-16-29/h6-10,12,17-18,31H,11,13-16H2,1-5H3/b12-10+
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| InChIKey |
VUASIIQURRWUFE-ZRDIBKRKSA-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