General Information of the Compound
| Compound ID |
CP0410518
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| Compound Name |
(3Z)-3-[2-(3,4-dimethoxyphenyl)-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 |
C22H22N2O4
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| Molecular Weight |
378.428
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)\C=C1/NCC2N(CCc3ccccc23)C1=O
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| InChI |
InChI=1S/C22H22N2O4/c1-27-20-8-7-15(11-21(20)28-2)19(25)12-17-22(26)24-10-9-14-5-3-4-6-16(14)18(24)13-23-17/h3-8,11-12,18,23H,9-10,13H2,1-2H3/b17-12-
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| InChIKey |
GZIAUWSRQYWZMU-ATVHPVEESA-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