General Information of the Compound
| Compound ID |
CP0448835
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| Compound Name |
N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
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| Structure |
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| Formula |
C20H23ClF3N5O3
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| Molecular Weight |
473.883
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| Canonical SMILES |
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(NC(C)=O)c1C)C(F)(F)F
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| InChI |
InChI=1S/C20H23ClF3N5O3/c1-12-18(25-13(2)30)19(20(22,23)24)26-29(12)11-17(31)28-8-6-27(7-9-28)14-4-5-15(21)16(10-14)32-3/h4-5,10H,6-9,11H2,1-3H3,(H,25,30)
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| InChIKey |
HIBOFUWKSSPSRJ-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