General Information of the Compound
| Compound ID |
CP0421887
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| Compound Name |
6-oxo-4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazine-5-carbonitrile
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| Structure |
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| Formula |
C17H14F3N5O2
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| Molecular Weight |
377.326
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| Canonical SMILES |
FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1C#N
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| InChI |
InChI=1S/C17H14F3N5O2/c18-17(19,20)13-4-2-1-3-11(13)9-25-6-5-24(10-15(25)26)14-8-22-23-16(27)12(14)7-21/h1-4,8H,5-6,9-10H2,(H,23,27)
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| InChIKey |
TZKDGWYNRLTGNE-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