General Information of the Compound
| Compound ID |
CP0042840
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| Compound Name |
1-[2-(4-nitrophenyl)ethyl]-4-[2-[4-(tetrazol-1-yl)phenyl]ethyl]piperazine
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| Structure |
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| Formula |
C21H25N7O2
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| Molecular Weight |
407.478
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-n3cnnn3)CC2)cc1
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| InChI |
InChI=1S/C21H25N7O2/c29-28(30)21-7-3-19(4-8-21)10-12-26-15-13-25(14-16-26)11-9-18-1-5-20(6-2-18)27-17-22-23-24-27/h1-8,17H,9-16H2
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| InChIKey |
PUXFTZRRBCWLRB-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