General Information of the Compound
| Compound ID |
CP0080721
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| Compound Name |
1-[2-(4-nitrophenyl)ethyl]piperazine
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| Structure |
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| Formula |
C12H17N3O2
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| Molecular Weight |
235.287
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCNCC2)cc1
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| InChI |
InChI=1S/C12H17N3O2/c16-15(17)12-3-1-11(2-4-12)5-8-14-9-6-13-7-10-14/h1-4,13H,5-10H2
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| InChIKey |
LDHDLZVIOVDTCH-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
Protein ID: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT02704, Inward rectifier potassium channel 2
Protein ID: PT05414, Inward rectifier potassium channel 4