General Information of the Compound
| Compound ID |
CP0437563
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| Compound Name |
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-thiophen-3-ylpyridazin-3-one
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| Structure |
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| Formula |
C24H27N3O2S
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| Molecular Weight |
421.566
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| Canonical SMILES |
Cc1nn(-c2ccsc2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C24H27N3O2S/c1-17-23(15-24(28)27(25-17)20-11-14-30-16-20)18-5-7-21(8-6-18)29-22-9-12-26(13-10-22)19-3-2-4-19/h5-8,11,14-16,19,22H,2-4,9-10,12-13H2,1H3
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| InChIKey |
ULUKRIHLBPQTOL-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