General Information of the Compound
| Compound ID |
CP0563657
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| Compound Name |
N-[1-[[4-[3-(6-benzylpyridazin-3-yl)propoxy]phenyl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C28H34N4O2
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| Molecular Weight |
458.606
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| Canonical SMILES |
CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(Cc4ccccc4)nn3)cc2)CC1
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| InChI |
InChI=1S/C28H34N4O2/c1-22(33)29-25-15-17-32(18-16-25)21-24-9-13-28(14-10-24)34-19-5-8-26-11-12-27(31-30-26)20-23-6-3-2-4-7-23/h2-4,6-7,9-14,25H,5,8,15-21H2,1H3,(H,29,33)
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| InChIKey |
LGZBYUKKHXYCMF-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