General Information of the Compound
| Compound ID |
CP0487011
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| Compound Name |
1-[2-(4-nitrophenyl)ethyl]-4-[3-(4-nitrophenyl)propyl]piperazine
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| Structure |
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| Formula |
C21H26N4O4
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| Molecular Weight |
398.463
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
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| InChI |
InChI=1S/C21H26N4O4/c26-24(27)20-7-3-18(4-8-20)2-1-12-22-14-16-23(17-15-22)13-11-19-5-9-21(10-6-19)25(28)29/h3-10H,1-2,11-17H2
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| InChIKey |
UPQPKCXJXYAGFI-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