General Information of the Compound
| Compound ID |
CP0709965
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| Compound Name |
N-(2-(4-ethoxybenzyl)-1-(1-methylpiperidin-4-yl)-1H-benzo[d]imidazol-5-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C27H33Cl2N5OS
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| Molecular Weight |
546.568
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(NC(=N)c4cccs4)ccc3n2C2CCN(C)CC2)cc1.Cl.Cl
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| InChI |
InChI=1S/C27H31N5OS.2ClH/c1-3-33-22-9-6-19(7-10-22)17-26-30-23-18-20(29-27(28)25-5-4-16-34-25)8-11-24(23)32(26)21-12-14-31(2)15-13-21;;/h4-11,16,18,21H,3,12-15,17H2,1-2H3,(H2,28,29);2*1H
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| InChIKey |
QATGVQIXOCXROG-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