General Information of the Compound
| Compound ID |
CP0528381
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| Compound Name |
N'-[(3-methylpyridin-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
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| Structure |
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| Formula |
C20H28N4
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| Molecular Weight |
324.472
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| Canonical SMILES |
Cc1cccnc1CN(CCCCN)C1CCCc2cccnc12
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| InChI |
InChI=1S/C20H28N4/c1-16-7-5-12-22-18(16)15-24(14-3-2-11-21)19-10-4-8-17-9-6-13-23-20(17)19/h5-7,9,12-13,19H,2-4,8,10-11,14-15,21H2,1H3
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| InChIKey |
DYIVWDFUVRUDQO-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