General Information of the Compound
| Compound ID |
CP0496293
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| Compound Name |
2-[4-(2-Nitro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
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| Structure |
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| Formula |
C18H19N5O2
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| Molecular Weight |
337.383
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C18H19N5O2/c24-23(25)17-8-4-3-7-16(17)22-11-9-21(10-12-22)13-18-19-14-5-1-2-6-15(14)20-18/h1-8H,9-13H2,(H,19,20)
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| InChIKey |
KEGYYRUXGXROQP-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