General Information of the Compound
| Compound ID |
CP0372544
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| Compound Name |
N-(4-bromophenyl)-3-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]propanamide
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| Structure |
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| Formula |
C22H22BrN3O3
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| Molecular Weight |
456.34
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| Canonical SMILES |
COc1cccc(Cc2cc(C)nn(CCC(=O)Nc3ccc(Br)cc3)c2=O)c1
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| InChI |
InChI=1S/C22H22BrN3O3/c1-15-12-17(13-16-4-3-5-20(14-16)29-2)22(28)26(25-15)11-10-21(27)24-19-8-6-18(23)7-9-19/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,27)
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| InChIKey |
PPOLUASKGNFIRB-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: PT02590, N-formyl peptide receptor 2