General Information of the Compound
| Compound ID |
CP0422991
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| Compound Name |
N-(4-chlorophenyl)-2-[5-[(2,3-dimethoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide
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| Structure |
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| Formula |
C23H24ClN3O4
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| Molecular Weight |
441.915
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| Canonical SMILES |
COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3ccc(Cl)cc3)c2=O)c1OC
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| InChI |
InChI=1S/C23H24ClN3O4/c1-14-12-17(13-16-6-5-7-20(30-3)21(16)31-4)23(29)27(26-14)15(2)22(28)25-19-10-8-18(24)9-11-19/h5-12,15H,13H2,1-4H3,(H,25,28)
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| InChIKey |
POPSVOIOQBJNRZ-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