General Information of the Compound
| Compound ID |
CP0553115
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| Compound Name |
1-[4-[2-[[1-(3,4-difluorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C19H24F2N4O2
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| Molecular Weight |
378.423
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| Canonical SMILES |
CC(=O)N1CCN(CCOCc2cc(C)n(n2)-c2ccc(F)c(F)c2)CC1
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| InChI |
InChI=1S/C19H24F2N4O2/c1-14-11-16(22-25(14)17-3-4-18(20)19(21)12-17)13-27-10-9-23-5-7-24(8-6-23)15(2)26/h3-4,11-12H,5-10,13H2,1-2H3
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| InChIKey |
JIIXEYJORCTKCB-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