General Information of the Compound
| Compound ID |
CP0549695
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| Compound Name |
5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)pyridin-3-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C15H13ClF3N5O2
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| Molecular Weight |
387.749
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| Canonical SMILES |
FC(F)(F)c1ncccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl
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| InChI |
InChI=1S/C15H13ClF3N5O2/c16-12-10(6-21-22-14(12)26)23-4-5-24(11(25)8-23)7-9-2-1-3-20-13(9)15(17,18)19/h1-3,6H,4-5,7-8H2,(H,22,26)
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| InChIKey |
GIRIFGFIERVBPX-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