General Information of the Compound
| Compound ID |
CP0414771
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| Compound Name |
(3Z)-3-[2-(2-fluorophenyl)-2-oxoethylidene]-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C20H17FN2O2
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| Molecular Weight |
336.366
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| Canonical SMILES |
Fc1ccccc1C(=O)\C=C1/NCC2N(CCc3ccccc23)C1=O
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| InChI |
InChI=1S/C20H17FN2O2/c21-16-8-4-3-7-15(16)19(24)11-17-20(25)23-10-9-13-5-1-2-6-14(13)18(23)12-22-17/h1-8,11,18,22H,9-10,12H2/b17-11-
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| InChIKey |
DIFLQZOLQYNEEE-BOPFTXTBSA-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