General Information of the Compound
| Compound ID |
CP0788418
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| Compound Name |
2-(4-ethoxybenzyl)-1-(2-(1-methylpyrrolidin-2-yl)ethyl)-5-nitro-1H-benzo[d]imidazole dihydrochloride
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| Structure |
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| Formula |
C23H30Cl2N4O3
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| Molecular Weight |
481.424
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCC2CCCN2C)cc1.Cl.Cl
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| InChI |
InChI=1S/C23H28N4O3.2ClH/c1-3-30-20-9-6-17(7-10-20)15-23-24-21-16-19(27(28)29)8-11-22(21)26(23)14-12-18-5-4-13-25(18)2;;/h6-11,16,18H,3-5,12-15H2,1-2H3;2*1H
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| InChIKey |
UPQKNOTYFDUXAN-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