General Information of the Compound
| Compound ID |
CP0471416
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methylquinolin-2-amine
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| Structure |
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| Formula |
C25H32N4O
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| Molecular Weight |
404.558
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1
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| InChI |
InChI=1S/C25H32N4O/c1-20-9-11-22-21(19-20)10-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)30-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
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| InChIKey |
LTAWZNAXYRQBIM-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