General Information of the Compound
| Compound ID |
CP0578820
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| Compound Name |
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-3-carboxamide
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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)c1ccccc1CNC(=O)C1CN(C1)c1cn[nH]c(=O)c1Cl
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| InChI |
InChI=1S/C16H14ClF3N4O2/c17-13-12(6-22-23-15(13)26)24-7-10(8-24)14(25)21-5-9-3-1-2-4-11(9)16(18,19)20/h1-4,6,10H,5,7-8H2,(H,21,25)(H,23,26)
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| InChIKey |
WIDGUZGWNWKUBA-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