General Information of the Compound
| Compound ID |
CP0413864
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C28H25N3O6
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| Molecular Weight |
499.523
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(Cc2cccc(OC)c2)c(=O)n(CC(=O)Nc2ccc3OCOc3c2)n1
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| InChI |
InChI=1S/C28H25N3O6/c1-34-22-9-6-19(7-10-22)24-14-20(12-18-4-3-5-23(13-18)35-2)28(33)31(30-24)16-27(32)29-21-8-11-25-26(15-21)37-17-36-25/h3-11,13-15H,12,16-17H2,1-2H3,(H,29,32)
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| InChIKey |
NELZWWAIOGCPRE-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