General Information of the Compound
| Compound ID |
CP0535738
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| Compound Name |
1-(4-Fluoro-phenyl)-4-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-butan-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)C(=O)CCCN1CCN2C(CCc3ccccc23)C1
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| InChI |
InChI=1S/C22H25FN2O/c23-19-10-7-18(8-11-19)22(26)6-3-13-24-14-15-25-20(16-24)12-9-17-4-1-2-5-21(17)25/h1-2,4-5,7-8,10-11,20H,3,6,9,12-16H2
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| InChIKey |
CDMKFCYALGWSEN-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