General Information of the Compound
| Compound ID |
CP0579511
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| Compound Name |
4-chloro-2-methyl-5-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
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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 |
Cn1ncc(N2CCN(Cc3ccccc3C(F)(F)F)C(=O)C2)c(Cl)c1=O
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| InChI |
InChI=1S/C17H16ClF3N4O2/c1-23-16(27)15(18)13(8-22-23)24-6-7-25(14(26)10-24)9-11-4-2-3-5-12(11)17(19,20)21/h2-5,8H,6-7,9-10H2,1H3
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| InChIKey |
DYNYSAUUBPQCEE-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