General Information of the Compound
| Compound ID |
CP0762430
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| Compound Name |
1-(1-(2-(diethylamino)ethyl)-2-(4-ethoxybenzyl)-1H-benzo[d]imidazol-5-yl)-3-nitroguanidine dihydrochloride
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| Structure |
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| Formula |
C23H33Cl2N7O3
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| Molecular Weight |
526.469
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(NC(=N)N[N+](=O)[O-])ccc3n2CCN(CC)CC)cc1.Cl.Cl
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| InChI |
InChI=1S/C23H31N7O3.2ClH/c1-4-28(5-2)13-14-29-21-12-9-18(25-23(24)27-30(31)32)16-20(21)26-22(29)15-17-7-10-19(11-8-17)33-6-3;;/h7-12,16H,4-6,13-15H2,1-3H3,(H3,24,25,27);2*1H
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| InChIKey |
MTUNYBUNSQIPHJ-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