General Information of the Compound
| Compound ID |
CP0577586
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| Compound Name |
2-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)azetidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
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| Structure |
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| Formula |
C17H16ClF3N4O2
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| Molecular Weight |
400.788
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| Canonical SMILES |
FC(F)(F)c1ccccc1CNC(=O)CC1CN(C1)c1cn[nH]c(=O)c1Cl
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| InChI |
InChI=1S/C17H16ClF3N4O2/c18-15-13(7-23-24-16(15)27)25-8-10(9-25)5-14(26)22-6-11-3-1-2-4-12(11)17(19,20)21/h1-4,7,10H,5-6,8-9H2,(H,22,26)(H,24,27)
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| InChIKey |
IKYMGXGWHFRVCZ-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