General Information of the Compound
| Compound ID |
CP0066832
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| Compound Name |
4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline
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| Structure |
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| Formula |
C23H28N4O
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| Molecular Weight |
376.504
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN(C)C)cc2)nn1
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| InChI |
InChI=1S/C23H28N4O/c1-27(2)17-18-6-10-20(11-7-18)24-16-4-5-21-12-15-23(26-25-21)19-8-13-22(28-3)14-9-19/h6-15,24H,4-5,16-17H2,1-3H3
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| InChIKey |
MOBSKCBBMWWXRY-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