General Information of the Compound
| Compound ID |
CP0258554
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| Compound Name |
N-[1-[[4-[3-(6-phenoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C27H33N5O2
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| Molecular Weight |
459.594
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| Canonical SMILES |
CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
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| InChI |
InChI=1S/C27H33N5O2/c1-21(33)29-24-15-18-32(19-16-24)20-22-9-11-23(12-10-22)28-17-5-6-25-13-14-27(31-30-25)34-26-7-3-2-4-8-26/h2-4,7-14,24,28H,5-6,15-20H2,1H3,(H,29,33)
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| InChIKey |
FMANFSUOSWWJNA-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