General Information of the Compound
| Compound ID |
CP0338387
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| Compound Name |
3-[2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethyl]benzonitrile
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| Structure |
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| Formula |
C21H24N4O2
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| Molecular Weight |
364.449
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(CCc3cccc(c3)C#N)CC2)cc1
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| InChI |
InChI=1S/C21H24N4O2/c22-17-20-3-1-2-19(16-20)9-11-24-14-12-23(13-15-24)10-8-18-4-6-21(7-5-18)25(26)27/h1-7,16H,8-15H2
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| InChIKey |
XOQSLAWJBMPUCB-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