General Information of the Compound
| Compound ID |
CP0421886
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| Compound Name |
5-chloro-4-[3-oxo-4-[[2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C16H14ClF3N4O3
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| Molecular Weight |
402.76
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl
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| InChI |
InChI=1S/C16H14ClF3N4O3/c17-14-11(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-12(10)27-16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)
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| InChIKey |
TWTOUKFJYMYLBR-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