General Information of the Compound
| Compound ID |
CP0435699
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C28H25N3O5
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| Molecular Weight |
483.524
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| Canonical SMILES |
COc1cccc(Cc2cc(nn(CC(=O)Nc3ccc4OCOc4c3)c2=O)-c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C28H25N3O5/c1-18-6-8-20(9-7-18)24-14-21(12-19-4-3-5-23(13-19)34-2)28(33)31(30-24)16-27(32)29-22-10-11-25-26(15-22)36-17-35-25/h3-11,13-15H,12,16-17H2,1-2H3,(H,29,32)
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| InChIKey |
WDWACBBVRWSNAG-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
Protein ID: PT02015, fMet-Leu-Phe receptor
Protein ID: PT00605, FML2_HUMAN
Protein ID: PT02590, N-formyl peptide receptor 2