General Information of the Compound
| Compound ID |
CP0010104
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| Compound Name |
N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine
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| Structure |
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| Formula |
C36H62N4O2
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| Molecular Weight |
582.918
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| Canonical SMILES |
COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
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| InChI |
InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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| InChIKey |
RPMBYDYUVKEZJA-UHFFFAOYSA-N
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| CAS |
3967-44-0
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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