General Information of the Compound
| Compound ID |
CP0459088
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| Compound Name |
N-(3-chlorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide
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| Structure |
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| Formula |
C22H22ClN3O3
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| Molecular Weight |
411.889
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| Canonical SMILES |
COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3cccc(Cl)c3)c2=O)c1
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| InChI |
InChI=1S/C22H22ClN3O3/c1-14-10-17(11-16-6-4-9-20(12-16)29-3)22(28)26(25-14)15(2)21(27)24-19-8-5-7-18(23)13-19/h4-10,12-13,15H,11H2,1-3H3,(H,24,27)
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| InChIKey |
ZCRABDQHSAXRII-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