General Information of the Compound
| Compound ID |
CP0127626
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| Compound Name |
2-[2-(azepan-1-yl)ethyl]-6-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C23H27FN2O
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| Molecular Weight |
366.48
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCCCC3)CCc2c1
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| InChI |
InChI=1S/C23H27FN2O/c24-21-8-5-18(6-9-21)19-7-10-22-20(17-19)11-14-26(23(22)27)16-15-25-12-3-1-2-4-13-25/h5-10,17H,1-4,11-16H2
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| InChIKey |
ULDQVOFOHYQSEB-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