General Information of the Compound
| Compound ID |
CP0062831
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| Compound Name |
3-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyridazin-4-one
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| Structure |
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| Formula |
C22H31N3O2
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| Molecular Weight |
369.509
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| Canonical SMILES |
CN1N=C(C2CCCC2C1=O)c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H31N3O2/c1-24-22(26)20-8-5-7-19(20)21(23-24)17-9-11-18(12-10-17)27-16-6-15-25-13-3-2-4-14-25/h9-12,19-20H,2-8,13-16H2,1H3
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| InChIKey |
ZWVLHXRFHSCJTO-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