General Information of the Compound
| Compound ID |
CP0399073
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| Compound Name |
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-(6-methylpyridin-2-yl)pyridazin-3-one
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
Cc1cccc(n1)-n1nc(C)c(cc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C26H30N4O2/c1-18-5-3-8-25(27-18)30-26(31)17-24(19(2)28-30)20-9-11-22(12-10-20)32-23-13-15-29(16-14-23)21-6-4-7-21/h3,5,8-12,17,21,23H,4,6-7,13-16H2,1-2H3
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| InChIKey |
YOBFYQPQJKTEBG-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