General Information of the Compound
| Compound ID |
CP0374967
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| Compound Name |
(3Z)-9,10-dimethoxy-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 |
C22H21N3O6
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| Molecular Weight |
423.425
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| Canonical SMILES |
COc1cc2CCN3C(CN\C(=C/C(=O)c4cccc(c4)[N+]([O-])=O)C3=O)c2cc1OC
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| InChI |
InChI=1S/C22H21N3O6/c1-30-20-9-13-6-7-24-18(16(13)10-21(20)31-2)12-23-17(22(24)27)11-19(26)14-4-3-5-15(8-14)25(28)29/h3-5,8-11,18,23H,6-7,12H2,1-2H3/b17-11-
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| InChIKey |
BZUKBVSEJKYKOJ-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