General Information of the Compound
| Compound ID |
CP0296051
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| Compound Name |
3-[6-(2-acetylphenyl)-2-aminoquinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
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| Structure |
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| Formula |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C(C)=O)C(=O)NCCC(C)(C)C
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| InChI |
InChI=1S/C27H33N3O2/c1-17(26(32)29-13-12-27(3,4)5)14-21-16-20-15-19(10-11-24(20)30-25(21)28)23-9-7-6-8-22(23)18(2)31/h6-11,15-17H,12-14H2,1-5H3,(H2,28,30)(H,29,32)
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| InChIKey |
SZARSNWHVAWQRF-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