General Information of the Compound
| Compound ID |
CP0407360
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| Compound Name |
3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
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| Structure |
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| Formula |
C24H32N2O
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| Molecular Weight |
364.533
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| Canonical SMILES |
C(COc1ccc2CCN(CCc2c1)c1ccccc1)CN1CCCCC1
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| InChI |
InChI=1S/C24H32N2O/c1-3-8-23(9-4-1)26-17-12-21-10-11-24(20-22(21)13-18-26)27-19-7-16-25-14-5-2-6-15-25/h1,3-4,8-11,20H,2,5-7,12-19H2
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| InChIKey |
IOCXEAYYBZJHHK-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