General Information of the Compound
| Compound ID |
CP0709265
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| Compound Name |
N-(1-(2-(diethylamino)ethyl)-2-(4-ethoxybenzyl)-1H-benzo[d]imidazol-6-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C27H35Cl2N5OS
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| Molecular Weight |
548.584
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| Canonical SMILES |
CCOc1ccc(Cc2nc3ccc(NC(=N)c4cccs4)cc3n2CCN(CC)CC)cc1.Cl.Cl
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| InChI |
InChI=1S/C27H33N5OS.2ClH/c1-4-31(5-2)15-16-32-24-19-21(29-27(28)25-8-7-17-34-25)11-14-23(24)30-26(32)18-20-9-12-22(13-10-20)33-6-3;;/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H2,28,29);2*1H
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| InChIKey |
VKTJRMMBXRNWQU-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