General Information of the Compound
| Compound ID |
CP0450518
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| Compound Name |
4-[4-[(2R)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C19H25N3O2
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| Molecular Weight |
327.428
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| Canonical SMILES |
C[C@@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCCCC1
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| InChI |
InChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m1/s1
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| InChIKey |
VLVKQHNHQGVMFA-OAHLLOKOSA-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor