General Information of the Compound
| Compound ID |
CP0531875
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| Compound Name |
5-[2-(4-cyclobutylpiperazin-1-yl)quinazolin-6-yl]-1-methylpyridin-2-one
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| Structure |
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| Formula |
C22H25N5O
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| Molecular Weight |
375.476
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| Canonical SMILES |
Cn1cc(ccc1=O)-c1ccc2nc(ncc2c1)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C22H25N5O/c1-25-15-17(6-8-21(25)28)16-5-7-20-18(13-16)14-23-22(24-20)27-11-9-26(10-12-27)19-3-2-4-19/h5-8,13-15,19H,2-4,9-12H2,1H3
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| InChIKey |
LUZAYGLVUKAUQF-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: PT03343, Toll-like receptor 4
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9