General Information of the Compound
| Compound ID |
CP0495422
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| Compound Name |
1-(4-Fluoro-phenyl)-3-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-propan-1-one
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| Structure |
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| Formula |
C21H23FN2O
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| Molecular Weight |
338.426
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCN1CCN2C(CCc3ccccc23)C1
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| InChI |
InChI=1S/C21H23FN2O/c22-18-8-5-17(6-9-18)21(25)11-12-23-13-14-24-19(15-23)10-7-16-3-1-2-4-20(16)24/h1-6,8-9,19H,7,10-15H2
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| InChIKey |
DOHBWZBXSGIRIR-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