General Information of the Compound
| Compound ID |
CP0573080
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| Compound Name |
1-[4-[3-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C20H26Cl2N4O2
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| Molecular Weight |
425.36
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| Canonical SMILES |
CC(=O)N1CCN(CCCOCc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C20H26Cl2N4O2/c1-15-12-17(23-26(15)18-4-5-19(21)20(22)13-18)14-28-11-3-6-24-7-9-25(10-8-24)16(2)27/h4-5,12-13H,3,6-11,14H2,1-2H3
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| InChIKey |
GGFXWOWAGOHCHZ-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