General Information of the Compound
| Compound ID |
CP0066833
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| Compound Name |
1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol
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| Structure |
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| Formula |
C26H32N4O2
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| Molecular Weight |
432.568
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCC(O)C3)cc2)nn1
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| InChI |
InChI=1S/C26H32N4O2/c1-32-25-13-8-21(9-14-25)26-15-12-23(28-29-26)4-2-16-27-22-10-6-20(7-11-22)18-30-17-3-5-24(31)19-30/h6-15,24,27,31H,2-5,16-19H2,1H3
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| InChIKey |
DZSBFILJNZKJGY-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