General Information of the Compound
| Compound ID |
CP0423568
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| Compound Name |
3-(4-(2-Ethylbutyl)piperazin-1-yl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
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| Structure |
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| Formula |
C20H28N2O4
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| Molecular Weight |
360.454
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| Canonical SMILES |
CCC(CC)CN1CCN(CC1)c1c(C)c2c(O)cc(O)cc2oc1=O
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| InChI |
InChI=1S/C20H28N2O4/c1-4-14(5-2)12-21-6-8-22(9-7-21)19-13(3)18-16(24)10-15(23)11-17(18)26-20(19)25/h10-11,14,23-24H,4-9,12H2,1-3H3
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| InChIKey |
TZJVPFPBBNHJGP-UHFFFAOYSA-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