General Information of the Compound
| Compound ID |
CP0396518
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| Compound Name |
N-(4-bromophenyl)-2-[3-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C26H28BrN3O3
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| Molecular Weight |
510.432
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| Canonical SMILES |
COc1cccc(Cc2cc(nn(CC(=O)Nc3ccc(Br)cc3)c2=O)C2CCCCC2)c1
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| InChI |
InChI=1S/C26H28BrN3O3/c1-33-23-9-5-6-18(15-23)14-20-16-24(19-7-3-2-4-8-19)29-30(26(20)32)17-25(31)28-22-12-10-21(27)11-13-22/h5-6,9-13,15-16,19H,2-4,7-8,14,17H2,1H3,(H,28,31)
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| InChIKey |
SYXGSLHNPIOSGT-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