General Information of the Compound
| Compound ID |
CP0494366
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| Compound Name |
4-[(4-chlorophenyl)methyl]-2-[3-(dimethylamino)propyl]phthalazin-1-one
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C20H22ClN3O/c1-23(2)12-5-13-24-20(25)18-7-4-3-6-17(18)19(22-24)14-15-8-10-16(21)11-9-15/h3-4,6-11H,5,12-14H2,1-2H3
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| InChIKey |
SAKVKDBLCRHLAV-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor