General Information of the Compound
| Compound ID |
CP0181670
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| Compound Name |
1-(2-(3-methoxyphenyl)acetyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one
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| Structure |
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| Formula |
C20H20N2O3
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| Molecular Weight |
336.391
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| Canonical SMILES |
COc1cccc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)c1
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| InChI |
InChI=1S/C20H20N2O3/c1-25-15-6-2-4-13(10-15)11-18(23)22-9-8-14-5-3-7-16-19(14)17(22)12-21-20(16)24/h2-7,10,17H,8-9,11-12H2,1H3,(H,21,24)
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| InChIKey |
DCGBIYGHABWOMG-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