General Information of the Compound
| Compound ID |
CP0420620
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| Compound Name |
8-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-ethoxy-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C19H21ClN2O3
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| Molecular Weight |
360.841
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| Canonical SMILES |
CCOc1ccc2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl
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| InChI |
InChI=1S/C19H21ClN2O3/c1-4-25-15-6-5-13-7-8-22(19(24)16(13)17(15)20)10-14-11(2)9-12(3)21-18(14)23/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,23)
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| InChIKey |
GGXDYXALEJFDJG-UHFFFAOYSA-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