General Information of the Compound
| Compound ID |
CP0823026
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| Compound Name |
3-(N-(2-(3,4-Dimethoxyphenylamino)-2-oxoethyl)sulfamoyl)benzamidinium chloride
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| Structure |
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| Formula |
C17H21ClN4O5S
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| Molecular Weight |
428.898
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| Canonical SMILES |
COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(=N)N)c2)cc1OC.Cl
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| InChI |
InChI=1S/C17H20N4O5S.ClH/c1-25-14-7-6-12(9-15(14)26-2)21-16(22)10-20-27(23,24)13-5-3-4-11(8-13)17(18)19;/h3-9,20H,10H2,1-2H3,(H3,18,19)(H,21,22);1H
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| InChIKey |
IKMHWORELKYQIR-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