General Information of the Compound
| Compound ID |
CP0427342
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C22H21N3O5
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| Molecular Weight |
407.426
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| Canonical SMILES |
COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc4OCOc4c3)c2=O)c1
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| InChI |
InChI=1S/C22H21N3O5/c1-14-8-16(9-15-4-3-5-18(10-15)28-2)22(27)25(24-14)12-21(26)23-17-6-7-19-20(11-17)30-13-29-19/h3-8,10-11H,9,12-13H2,1-2H3,(H,23,26)
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| InChIKey |
QMOREXFVRNUFEF-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