General Information of the Compound
| Compound ID |
CP0406151
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| Compound Name |
N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
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| Structure |
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| Formula |
C27H32N4
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| Molecular Weight |
412.581
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| Canonical SMILES |
Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1
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| InChI |
InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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| InChIKey |
WBBAPMUEBOCQHN-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor