General Information of the Compound
| Compound ID |
CP0473620
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| Compound Name |
4-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylphthalazin-1-one
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| Structure |
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| Formula |
C24H29N3O2
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| Molecular Weight |
391.515
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| Canonical SMILES |
Cn1nc(-c2ccc(OCCCN3CCCCCC3)cc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C24H29N3O2/c1-26-24(28)22-10-5-4-9-21(22)23(25-26)19-11-13-20(14-12-19)29-18-8-17-27-15-6-2-3-7-16-27/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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| InChIKey |
OMWHONXOKQTOHL-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