General Information of the Compound
| Compound ID |
CP0059284
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| Compound Name |
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline
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| Structure |
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| Formula |
C26H32N4O
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| Molecular Weight |
416.569
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1
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| InChI |
InChI=1S/C26H32N4O/c1-31-25-14-9-22(10-15-25)26-16-13-24(28-29-26)6-5-17-27-23-11-7-21(8-12-23)20-30-18-3-2-4-19-30/h7-16,27H,2-6,17-20H2,1H3
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| InChIKey |
UKHHETYTQCSWPT-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