General Information of the Compound
| Compound ID |
CP0568118
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| Compound Name |
4-[4-(2-fluorophenyl)piperazin-1-yl]-8-(trideuteriomethoxy)quinoline-3-carbonitrile
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| Formula |
C21H19FN4O
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| Molecular Weight |
365.4263053
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| Canonical SMILES |
[2H]C([2H])([2H])Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
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| InChI |
InChI=1S/C21H19FN4O/c1-27-19-8-4-5-16-20(19)24-14-15(13-23)21(16)26-11-9-25(10-12-26)18-7-3-2-6-17(18)22/h2-8,14H,9-12H2,1H3/i1D3
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| InChIKey |
IVIYDHTVCLPJQV-FIBGUPNXSA-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