General Information of the Compound
| Compound ID |
CP0345108
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| Compound Name |
4-(2-oxo-2-(7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl)ethyl)benzonitrile
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| Structure |
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| Formula |
C20H17N3O2
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| Molecular Weight |
331.375
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| Canonical SMILES |
O=C(Cc1ccc(cc1)C#N)N1CCc2cccc3C(=O)NCC1c23
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| InChI |
InChI=1S/C20H17N3O2/c21-11-14-6-4-13(5-7-14)10-18(24)23-9-8-15-2-1-3-16-19(15)17(23)12-22-20(16)25/h1-7,17H,8-10,12H2,(H,22,25)
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| InChIKey |
BFDSPWGICSDYBD-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