General Information of the Compound
| Compound ID |
CP0424053
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| Compound Name |
1-methyl-5-[8-methyl-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-one
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| Structure |
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| Formula |
C22H27N5O
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| Molecular Weight |
377.492
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| Canonical SMILES |
CC(C)N1CCN(CC1)c1ncc2cc(cc(C)c2n1)-c1ccc(=O)n(C)c1
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| InChI |
InChI=1S/C22H27N5O/c1-15(2)26-7-9-27(10-8-26)22-23-13-19-12-18(11-16(3)21(19)24-22)17-5-6-20(28)25(4)14-17/h5-6,11-15H,7-10H2,1-4H3
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| InChIKey |
LZUPDJNPISWJJF-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