General Information of the Compound
| Compound ID |
CP0557402
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| Compound Name |
4-[2-(4-benzoylpiperazin-1-yl)ethoxy]benzonitrile
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| Structure |
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| Formula |
C20H21N3O2
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| Molecular Weight |
335.407
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| Canonical SMILES |
O=C(N1CCN(CCOc2ccc(cc2)C#N)CC1)c1ccccc1
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| InChI |
InChI=1S/C20H21N3O2/c21-16-17-6-8-19(9-7-17)25-15-14-22-10-12-23(13-11-22)20(24)18-4-2-1-3-5-18/h1-9H,10-15H2
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| InChIKey |
ATXDEERIPJZYFK-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