General Information of the Compound
| Compound ID |
CP0470356
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| Compound Name |
(E)-1-(3-butyl-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 |
C25H32N2O4
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| Molecular Weight |
424.541
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| Canonical SMILES |
CCCCc1c(O)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)cc1OC
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| InChI |
InChI=1S/C25H32N2O4/c1-4-5-9-20-22(30-2)17-23(31-3)24(25(20)29)21(28)11-10-18-7-6-8-19(16-18)27-14-12-26-13-15-27/h6-8,10-11,16-17,26,29H,4-5,9,12-15H2,1-3H3/b11-10+
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| InChIKey |
YGIMGQXXPNYGDY-ZHACJKMWSA-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