General Information of the Compound
| Compound ID |
CP0077210
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| Compound Name |
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
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| Structure |
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| Formula |
C21H29N3O2
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| Molecular Weight |
355.482
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| Canonical SMILES |
CC1(C)CC(=NNC1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C21H29N3O2/c1-21(2)14-19(22-23-20(21)25)15-6-8-17(9-7-15)26-18-10-12-24(13-11-18)16-4-3-5-16/h6-9,16,18H,3-5,10-14H2,1-2H3,(H,23,25)
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| InChIKey |
AUNMHWAGSWQKHU-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