General Information of the Compound
| Compound ID |
CP0345106
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| Compound Name |
1-(benzylsulfonyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one
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| Structure |
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| Formula |
C18H18N2O3S
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| Molecular Weight |
342.42
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| Canonical SMILES |
O=C1NCC2N(CCc3cccc1c23)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C18H18N2O3S/c21-18-15-8-4-7-14-9-10-20(16(11-19-18)17(14)15)24(22,23)12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,19,21)
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| InChIKey |
NJLXOYXODZFEFN-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