General Information of the Compound
| Compound ID |
CP0426757
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| Compound Name |
(3Z)-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 |
C21H20N2O3
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| Molecular Weight |
348.402
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| Canonical SMILES |
COc1cccc(c1)C(=O)\C=C1/NCC2N(CCc3ccccc23)C1=O
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| InChI |
InChI=1S/C21H20N2O3/c1-26-16-7-4-6-15(11-16)20(24)12-18-21(25)23-10-9-14-5-2-3-8-17(14)19(23)13-22-18/h2-8,11-12,19,22H,9-10,13H2,1H3/b18-12-
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| InChIKey |
KSQXACRXHIZPML-PDGQHHTCSA-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