General Information of the Compound
| Compound ID |
CP0281477
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| Compound Name |
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
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| Structure |
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| Formula |
C26H26N4O
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| Molecular Weight |
410.521
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| Canonical SMILES |
CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cccnc1
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| InChI |
InChI=1S/C26H26N4O/c1-17-6-3-4-8-23(17)20-9-10-24-21(13-20)14-22(25(27)30-24)12-18(2)26(31)29-16-19-7-5-11-28-15-19/h3-11,13-15,18H,12,16H2,1-2H3,(H2,27,30)(H,29,31)
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| InChIKey |
NPNWFUIRKKRIEZ-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