General Information of the Compound
| Compound ID |
CP0395550
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| Compound Name |
(3Z)-8-methoxy-3-phenacylidene-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C21H20N2O3
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| Molecular Weight |
348.402
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| Canonical SMILES |
COc1cccc2C3CN\C(=C/C(=O)c4ccccc4)C(=O)N3CCc12
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| InChI |
InChI=1S/C21H20N2O3/c1-26-20-9-5-8-15-16(20)10-11-23-18(15)13-22-17(21(23)25)12-19(24)14-6-3-2-4-7-14/h2-9,12,18,22H,10-11,13H2,1H3/b17-12-
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| InChIKey |
HEWQOIDNNXSQSU-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