General Information of the Compound
| Compound ID |
CP0381956
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| Compound Name |
4-[4-(2-aminoacetyl)phenoxy]-5-chloro-2-(4-propan-2-ylphenyl)pyridazin-3-one
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| Structure |
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| Formula |
C21H20ClN3O3
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| Molecular Weight |
397.862
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| Canonical SMILES |
CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(cc2)C(=O)CN)c1=O
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| InChI |
InChI=1S/C21H20ClN3O3/c1-13(2)14-3-7-16(8-4-14)25-21(27)20(18(22)12-24-25)28-17-9-5-15(6-10-17)19(26)11-23/h3-10,12-13H,11,23H2,1-2H3
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| InChIKey |
MDZQCOFGPRMYFL-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