General Information of the Compound
| Compound ID |
CP0414775
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| Compound Name |
(3Z)-3-[2-oxo-2-(4-phenylphenyl)ethylidene]-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C26H22N2O2
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| Molecular Weight |
394.474
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| Canonical SMILES |
O=C(\C=C1/NCC2N(CCc3ccccc23)C1=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H22N2O2/c29-25(21-12-10-19(11-13-21)18-6-2-1-3-7-18)16-23-26(30)28-15-14-20-8-4-5-9-22(20)24(28)17-27-23/h1-13,16,24,27H,14-15,17H2/b23-16-
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| InChIKey |
GKAHPJAXCJQKNJ-KQWNVCNZSA-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