General Information of the Compound
| Compound ID |
CP0473623
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| Compound Name |
2-[(4-chlorophenyl)methyl]-4-[4-(3-piperidin-1-ylpropoxy)phenyl]phthalazin-1-one
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| Structure |
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| Formula |
C29H30ClN3O2
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| Molecular Weight |
488.031
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| Canonical SMILES |
Clc1ccc(Cn2nc(-c3ccc(OCCCN4CCCCC4)cc3)c3ccccc3c2=O)cc1
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| InChI |
InChI=1S/C29H30ClN3O2/c30-24-13-9-22(10-14-24)21-33-29(34)27-8-3-2-7-26(27)28(31-33)23-11-15-25(16-12-23)35-20-6-19-32-17-4-1-5-18-32/h2-3,7-16H,1,4-6,17-21H2
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| InChIKey |
ZYVKPPAFYWDVQZ-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