General Information of the Compound
| Compound ID |
CP0062835
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| Compound Name |
2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]phthalazin-1-one
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C23H27N3O2/c1-25-23(27)21-9-4-3-8-20(21)22(24-25)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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| InChIKey |
UQECZBVIJKOGTA-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