General Information of the Compound
| Compound ID |
CP0459504
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| Compound Name |
5-chloranyl-2-(4-propan-2-ylphenyl)-4-[4-(trifluoromethyloxy)phenoxy]pyridazin-3-one
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| Structure |
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| Formula |
C20H16ClF3N2O3
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| Molecular Weight |
424.806
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| Canonical SMILES |
CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC(F)(F)F)cc2)c1=O
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| InChI |
InChI=1S/C20H16ClF3N2O3/c1-12(2)13-3-5-14(6-4-13)26-19(27)18(17(21)11-25-26)28-15-7-9-16(10-8-15)29-20(22,23)24/h3-12H,1-2H3
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| InChIKey |
HMMCWMBLFYGVOY-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