General Information of the Compound
| Compound ID |
CP0405087
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| Compound Name |
N'-[(4,6-dimethylpyridin-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 |
C21H30N4
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| Molecular Weight |
338.499
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| Canonical SMILES |
Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc23)c1
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| InChI |
InChI=1S/C21H30N4/c1-16-13-17(2)24-19(14-16)15-25(12-4-3-10-22)20-9-5-7-18-8-6-11-23-21(18)20/h6,8,11,13-14,20H,3-5,7,9-10,12,15,22H2,1-2H3
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| InChIKey |
YFAGKMFPCCCDTH-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