General Information of the Compound
| Compound ID |
CP0437013
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| Compound Name |
N'-[(3-aminopyridin-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 |
C19H27N5
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| Molecular Weight |
325.46
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| Canonical SMILES |
NCCCCN(Cc1ncccc1N)C1CCCc2cccnc12
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| InChI |
InChI=1S/C19H27N5/c20-10-1-2-13-24(14-17-16(21)8-5-11-22-17)18-9-3-6-15-7-4-12-23-19(15)18/h4-5,7-8,11-12,18H,1-3,6,9-10,13-14,20-21H2
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| InChIKey |
MSZYGLCHDDNCLO-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