General Information of the Compound
| Compound ID |
CP0385610
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| Compound Name |
(3Z)-10-methoxy-3-[2-(3-nitrophenyl)-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 |
C21H19N3O5
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| Molecular Weight |
393.399
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| Canonical SMILES |
COc1ccc2CCN3C(CN\C(=C/C(=O)c4cccc(c4)[N+]([O-])=O)C3=O)c2c1
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| InChI |
InChI=1S/C21H19N3O5/c1-29-16-6-5-13-7-8-23-19(17(13)10-16)12-22-18(21(23)26)11-20(25)14-3-2-4-15(9-14)24(27)28/h2-6,9-11,19,22H,7-8,12H2,1H3/b18-11-
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| InChIKey |
BSTCFTYEDNOGCK-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