General Information of the Compound
| Compound ID |
CP0163715
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| Compound Name |
5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C16H14ClF3N4O2
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| Molecular Weight |
386.761
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| Canonical SMILES |
FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl
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| InChI |
InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)
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| InChIKey |
MITRKIWBJVJRAM-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT06774, Short transient receptor potential channel 4
Protein ID: PT05452, Short transient receptor potential channel 5
Protein ID: PT04958, Short transient receptor potential channel 6
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT00705, Transient receptor potential cation channel subfamily C member 5