General Information of the Compound
| Compound ID |
CP0398253
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| Compound Name |
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
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| Structure |
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| Formula |
C21H28FN3O2
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| Molecular Weight |
373.472
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| Canonical SMILES |
CC1(C)CC(=NNC1=O)c1ccc(OC2CCN(CC2)C2CCC2)c(F)c1
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| InChI |
InChI=1S/C21H28FN3O2/c1-21(2)13-18(23-24-20(21)26)14-6-7-19(17(22)12-14)27-16-8-10-25(11-9-16)15-4-3-5-15/h6-7,12,15-16H,3-5,8-11,13H2,1-2H3,(H,24,26)
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| InChIKey |
YDPKOPVWGHCUAF-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor