General Information of the Compound
| Compound ID |
CP0432181
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| Compound Name |
6-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C22H25FN2O
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| Molecular Weight |
352.453
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCCC3)CCc2c1
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| InChI |
InChI=1S/C22H25FN2O/c23-20-7-4-17(5-8-20)18-6-9-21-19(16-18)10-13-25(22(21)26)15-14-24-11-2-1-3-12-24/h4-9,16H,1-3,10-15H2
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| InChIKey |
AEHCJYWMDQUABD-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