General Information of the Compound
| Compound ID |
CP0059206
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| Compound Name |
[1-[[4-[3-(6-phenoxypyridazin-3-yl)propoxy]phenyl]methyl]piperidin-4-yl]methanol
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
OCC1CCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
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| InChI |
InChI=1S/C26H31N3O3/c30-20-22-14-16-29(17-15-22)19-21-8-11-24(12-9-21)31-18-4-5-23-10-13-26(28-27-23)32-25-6-2-1-3-7-25/h1-3,6-13,22,30H,4-5,14-20H2
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| InChIKey |
DARAALXZQWSOKR-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