General Information of the Compound
| Compound ID |
CP0392979
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| Compound Name |
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-(2,2,2-trifluoroethyl)-4,5-dihydropyridazin-3-one
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| Structure |
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| Formula |
C20H26F3N3O2
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| Molecular Weight |
397.441
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| Canonical SMILES |
FC(F)(F)CN1N=C(CCC1=O)c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C20H26F3N3O2/c21-20(22,23)15-26-19(27)10-9-18(24-26)16-5-7-17(8-6-16)28-14-4-13-25-11-2-1-3-12-25/h5-8H,1-4,9-15H2
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| InChIKey |
YBCATEZOXUMASY-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