General Information of the Compound
| Compound ID |
CP0380890
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| Compound Name |
N,N'-bis(8-methoxyquinolin-4-yl)heptane-1,7-diamine
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12
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| InChI |
InChI=1S/C27H32N4O2/c1-32-24-12-8-10-20-22(14-18-30-26(20)24)28-16-6-4-3-5-7-17-29-23-15-19-31-27-21(23)11-9-13-25(27)33-2/h8-15,18-19H,3-7,16-17H2,1-2H3,(H,28,30)(H,29,31)
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| InChIKey |
XGRRECSBDVKHCC-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