General Information of the Compound
| Compound ID |
CP0385609
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| Compound Name |
(3Z)-10-methoxy-3-[2-(3-methoxyphenyl)-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 |
COc1cccc(c1)C(=O)\C=C1/NCC2N(CCc3ccc(OC)cc23)C1=O
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| InChI |
InChI=1S/C22H22N2O4/c1-27-16-5-3-4-15(10-16)21(25)12-19-22(26)24-9-8-14-6-7-17(28-2)11-18(14)20(24)13-23-19/h3-7,10-12,20,23H,8-9,13H2,1-2H3/b19-12-
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| InChIKey |
BEMFUROWUHOLOC-UNOMPAQXSA-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