General Information of the Compound
| Compound ID |
CP0353601
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| Compound Name |
2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-methylphenyl)butanamide
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| Structure |
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| Formula |
C25H28N4O2S
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| Molecular Weight |
448.592
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| Canonical SMILES |
CCC(C)C1N=C2N(C1=O)C(SC(CC)C(=O)Nc1ccccc1C)=Nc1ccccc21
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| InChI |
InChI=1S/C25H28N4O2S/c1-5-15(3)21-24(31)29-22(28-21)17-12-8-10-14-19(17)27-25(29)32-20(6-2)23(30)26-18-13-9-7-11-16(18)4/h7-15,20-21H,5-6H2,1-4H3,(H,26,30)
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| InChIKey |
HTFJGDBBWXQQCN-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: PT03150, Aldehyde dehydrogenase 1A1
Cell-based Assay