General Information of the Compound
| Compound ID |
CP0685522
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| Compound Name |
N-(2-(4-ethoxybenzyl)-1-(2-(1-methylpyrrolidin-2-yl)ethyl)-1H-benzo[d]imidazol-5-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C28H35Cl2N5OS
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| Molecular Weight |
560.595
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(NC(=N)c4cccs4)ccc3n2CCC2CCCN2C)cc1.Cl.Cl
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| InChI |
InChI=1S/C28H33N5OS.2ClH/c1-3-34-23-11-8-20(9-12-23)18-27-31-24-19-21(30-28(29)26-7-5-17-35-26)10-13-25(24)33(27)16-14-22-6-4-15-32(22)2;;/h5,7-13,17,19,22H,3-4,6,14-16,18H2,1-2H3,(H2,29,30);2*1H
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| InChIKey |
QHIWQRQMKAGEQS-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