General Information of the Compound
| Compound ID |
CP0167321
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| Compound Name |
1-Benzyl-4-(4-phenyl-butyl)-piperazine
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| Structure |
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| Formula |
C21H28N2
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| Molecular Weight |
308.469
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| Canonical SMILES |
C(CCc1ccccc1)CN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H28N2/c1-3-9-20(10-4-1)11-7-8-14-22-15-17-23(18-16-22)19-21-12-5-2-6-13-21/h1-6,9-10,12-13H,7-8,11,14-19H2
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| InChIKey |
XYAJNJRPRCIANT-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