General Information of the Compound
| Compound ID |
CP0009732
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| Compound Name |
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
O=C1COc2ccccc2N1CCCCN1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H24N2O2/c24-21-16-25-20-10-4-3-9-19(20)23(21)13-6-5-12-22-14-11-17-7-1-2-8-18(17)15-22/h1-4,7-10H,5-6,11-16H2
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| InChIKey |
HFGGSMNALYNWRU-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: PT03245, Acetylcholine-binding protein
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7