General Information of the Compound
| Compound ID |
CP0392980
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| Compound Name |
4-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
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| Structure |
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| Formula |
C18H25N3O2
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| Molecular Weight |
315.417
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| Canonical SMILES |
CC1CC(=O)NN=C1c1ccc(OCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C18H25N3O2/c1-14-13-17(22)19-20-18(14)15-5-7-16(8-6-15)23-12-4-11-21-9-2-3-10-21/h5-8,14H,2-4,9-13H2,1H3,(H,19,22)
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| InChIKey |
SMIRNBCIQIPOFS-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