General Information of the Compound
| Compound ID |
CP0387818
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| Compound Name |
N-(1,3-benzodioxol-5-yl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C25H21N3O5S
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| Molecular Weight |
475.526
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| Canonical SMILES |
COc1cccc(Cc2cc(nn(CC(=O)Nc3ccc4OCOc4c3)c2=O)-c2cccs2)c1
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| InChI |
InChI=1S/C25H21N3O5S/c1-31-19-5-2-4-16(11-19)10-17-12-20(23-6-3-9-34-23)27-28(25(17)30)14-24(29)26-18-7-8-21-22(13-18)33-15-32-21/h2-9,11-13H,10,14-15H2,1H3,(H,26,29)
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| InChIKey |
XYHVOCYINSAYHT-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