General Information of the Compound
| Compound ID |
CP0116267
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| Compound Name |
1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-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(CN3CCC(O)CC3)cc2)nn1
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| InChI |
InChI=1S/C26H32N4O2/c1-32-25-11-6-21(7-12-25)26-13-10-23(28-29-26)3-2-16-27-22-8-4-20(5-9-22)19-30-17-14-24(31)15-18-30/h4-13,24,27,31H,2-3,14-19H2,1H3
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| InChIKey |
OPZGAKRVINWIHN-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