General Information of the Compound
| Compound ID |
CP0395553
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| Compound Name |
(3Z)-3-[2-(2-fluorophenyl)-2-oxoethylidene]-10-methoxy-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C21H19FN2O3
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| Molecular Weight |
366.392
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| Canonical SMILES |
COc1ccc2CCN3C(CN\C(=C/C(=O)c4ccccc4F)C3=O)c2c1
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| InChI |
InChI=1S/C21H19FN2O3/c1-27-14-7-6-13-8-9-24-19(16(13)10-14)12-23-18(21(24)26)11-20(25)15-4-2-3-5-17(15)22/h2-7,10-11,19,23H,8-9,12H2,1H3/b18-11-
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| InChIKey |
YRDRZLVBGRTTFP-WQRHYEAKSA-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