General Information of the Compound
| Compound ID |
CP0377782
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| Compound Name |
4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-3-yl)phthalazin-1-one
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| Structure |
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| Formula |
C22H24ClN3O
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| Molecular Weight |
381.907
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| Canonical SMILES |
CN1CCCCC(C1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C22H24ClN3O/c1-25-13-5-4-6-18(15-25)26-22(27)20-8-3-2-7-19(20)21(24-26)14-16-9-11-17(23)12-10-16/h2-3,7-12,18H,4-6,13-15H2,1H3
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| InChIKey |
OEYDBWKMXFZENQ-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