General Information of the Compound
| Compound ID |
CP0285389
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| Compound Name |
1-(2-(3-methylbenzo[b]thiophen-2-yl)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 |
C22H20N2O2S
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| Molecular Weight |
376.481
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| Canonical SMILES |
Cc1c(CC(=O)N2CCc3cccc4C(=O)NCC2c34)sc2ccccc12
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| InChI |
InChI=1S/C22H20N2O2S/c1-13-15-6-2-3-8-18(15)27-19(13)11-20(25)24-10-9-14-5-4-7-16-21(14)17(24)12-23-22(16)26/h2-8,17H,9-12H2,1H3,(H,23,26)
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| InChIKey |
APLPMDTYLNNONS-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